5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine

C12H19N — CID 123242636

IUPAC5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine
SMILESCC=C1CC2NCCCC2C1=CC
InChIInChI=1S/C12H19N/c1-3-9-8-12-11(10(9)4-2)6-5-7-13-12/h3-4,11-13H,5-8H2,1-2H3
InChIKeyWPTMHGVFUOENHC-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.65
Rot. Bonds

About 5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine

5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine (PubChem CID 123242636) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine
PubChem CID123242636
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine
SMILESCC=C1CC2NCCCC2C1=CC
InChIInChI=1S/C12H19N/c1-3-9-8-12-11(10(9)4-2)6-5-7-13-12/h3-4,11-13H,5-8H2,1-2H3
InChIKeyWPTMHGVFUOENHC-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
(2R)-2-[(2S)-pyrrolidin-2-yl]cyclopentan-1-one
CID 97048991
(4aR,8aS)-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-one
CID 70494313
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 58044710
2-pyrrolidin-2-ylpiperidine
CID 14810994
2,3,4,6,6a,7,8,9,10,10a-decahydroindolo[4,3-fg]quinoline
CID 123299289
(4aS,9aR)-6-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67223868
7-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67193567
1,2-di(ethylidene)cyclopropane
CID 123857340
2-pyrrolidin-2-ylcyclohexane-1,3-dione
CID 107430772
2-[(E)-pent-2-en-3-yl]pyrrolidine
CID 55299254
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde
CID 88506814

Frequently Asked Questions

What is the IUPAC name of 5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine (CID 123242636) is 5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine is CC=C1CC2NCCCC2C1=CC.
What is the InChIKey of 5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine?
The InChIKey is WPTMHGVFUOENHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-9-8-12-11(10(9)4-2)6-5-7-13-12/h3-4,11-13H,5-8H2,1-2H3.
What are the key properties of 5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine?
5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine has a molecular weight of 177.29 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(ethylidene)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 123242636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).