4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine

C11H19N — CID 123590457

IUPAC4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine
SMILESC=C1CCCC2CCCCCN12
InChIInChI=1S/C11H19N/c1-10-6-5-8-11-7-3-2-4-9-12(10)11/h11H,1-9H2
InChIKeyHTVSIPSDLHFNAX-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.93
Rot. Bonds

About 4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine

4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine (PubChem CID 123590457) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine.

Molecular Properties

Compound Name4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine
PubChem CID123590457
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine
SMILESC=C1CCCC2CCCCCN12
InChIInChI=1S/C11H19N/c1-10-6-5-8-11-7-3-2-4-9-12(10)11/h11H,1-9H2
InChIKeyHTVSIPSDLHFNAX-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine 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

1-cyclohexyl-2-methylideneaziridine
CID 10510915
2-methylidene-1-azabicyclo[3.2.0]heptane
CID 123966082
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
1-cyclodecylpyrrolidin-2-one
CID 138507623
1-cyclohexyl-8-cyclopentyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine
CID 90070602
(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 86313694
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
(1,3-dicyclohexylimidazolidin-2-ylidene)rhodium
CID 142675127
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
2-cyclohexyl-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79931975
3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine
CID 91391642

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine?
The IUPAC name of 4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine (CID 123590457) is 4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine.
What is the SMILES notation for 4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine?
The canonical SMILES for 4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine is C=C1CCCC2CCCCCN12.
What is the InChIKey of 4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine?
The InChIKey is HTVSIPSDLHFNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10-6-5-8-11-7-3-2-4-9-12(10)11/h11H,1-9H2.
What are the key properties of 4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine?
4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine has a molecular weight of 165.28 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine is sourced from PubChem (CID 123590457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).