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Chemical ID: 4669887
Chemical ID:
4669887
Name [?]:
2-(pyrrolidin-1-ylmethyl)-1H-pyrrole
SMILES [?]:
c1cc([nH]c1)CN2CCCC2
InChi [?]:
InChI=1/C9H14N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h3-5,10H,1-2,6-8H2
InChi Info:
AuxInfo=1/0/N:9,10,1,2,5,8,11,6,3,4,7/E:(1,2)(6,7)/rA:11nCCCNCCNCCCC/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;s7s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14N2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.39251 |
Area: | 313.288 |
Solvation: | -1.43968 |
Coulombic: | -15.4999 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 150.221 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.09 |
LogP (Chemaxon): | 1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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