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Chemical ID: 4088341
Chemical ID:
4088341
Name [?]:
3-(1-methyl-2,3,4,5-tetrahydropyrrol-2-yl)pyridine
SMILES [?]:
C[NH+]1CCCC1c2cccnc2
InChi [?]:
InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,9,4,8,5,10,3,12,7,6,11,2/rA:12cCN+CCCCCCCCNC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15N2+ |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -23.5524 |
Area: | 317.7 |
Solvation: | -31.4949 |
Coulombic: | 25.3898 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 163.24 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.13 |
LogP (Chemaxon): | 1.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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