ChemDB: Chemical Search
Download
Chemical ID: 4784333
Chemical ID:
4784333
Name [?]:
1-(cyclopropylmethyl)-4,5-dimethyl-2-pyrrol-1-yl-pyrrole-3-carbonitrile
SMILES [?]:
Cc1c(n(c(c1C#N)n2cccc2)CC3CC3)C
InChi [?]:
InChI=1/C15H17N3/c1-11-12(2)18(10-13-5-6-13)15(14(11)9-16)17-7-3-4-8-17/h3-4,7-8,13H,5-6,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,11,12,16,17,10,13,7,14,2,3,15,6,5,8,9,4/E:(3,4)(5,6)(7,8)/rA:18nCCCNCCCNNCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s6;t7;s5;s9;d10;s11;s9d12;s4;s14;s15;s15s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21563 |
Area: | 430.189 |
Solvation: | -1.53909 |
Coulombic: | -15.324 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 239.316 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.04 |
LogP (Chemaxon): | 2.91 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|