9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine

C16H21N — CID 150295309

IUPAC9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine
SMILESC(=C1CCCN2CCCCC12)c1ccccc1
InChIInChI=1S/C16H21N/c1-2-7-14(8-3-1)13-15-9-6-12-17-11-5-4-10-16(15)17/h1-3,7-8,13,16H,4-6,9-12H2
InChIKeyGILRXRZPHJCMGF-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.72
Rot. Bonds1

About 9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine

9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine (PubChem CID 150295309) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine.

Molecular Properties

Compound Name9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine
PubChem CID150295309
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine
SMILESC(=C1CCCN2CCCCC12)c1ccccc1
InChIInChI=1S/C16H21N/c1-2-7-14(8-3-1)13-15-9-6-12-17-11-5-4-10-16(15)17/h1-3,7-8,13,16H,4-6,9-12H2
InChIKeyGILRXRZPHJCMGF-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine 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-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine
CID 54325787
1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine
CID 70432400
(8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 13164040
(1E)-1-benzylidene-5,6,7,8-tetrahydropyrrolizin-3-one
CID 12032725
2-(azetidin-1-yl)cyclohexan-1-one;benzene
CID 156803276
3-benzylidene-1-azabicyclo[2.2.2]octane
CID 541530
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
(2E,5E)-2,5-dibenzylidenecyclopentan-1-ol
CID 12642987
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
2-(4-phenylpiperidin-1-yl)cyclohexan-1-one
CID 15925759
(2Z,3S)-2-benzylidene-3-piperidin-1-yl-3H-inden-1-one
CID 96559884
(3-methyl-2-nitrosocyclohexylidene)methylbenzene
CID 57234852

Frequently Asked Questions

What is the IUPAC name of 9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine?
The IUPAC name of 9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine (CID 150295309) is 9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine.
What is the SMILES notation for 9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine?
The canonical SMILES for 9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine is C(=C1CCCN2CCCCC12)c1ccccc1.
What is the InChIKey of 9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine?
The InChIKey is GILRXRZPHJCMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-7-14(8-3-1)13-15-9-6-12-17-11-5-4-10-16(15)17/h1-3,7-8,13,16H,4-6,9-12H2.
What are the key properties of 9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine?
9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine has a molecular weight of 227.35 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzylidene-1,2,3,4,6,7,8,9a-octahydroquinolizine is sourced from PubChem (CID 150295309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).