(7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one

C16H21NO — CID 15984177

IUPAC(7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one
SMILESC=CCN1C(=O)CC[C@]23C(=C)CC[C@H]2CCC=C13
InChIInChI=1S/C16H21NO/c1-3-11-17-14-6-4-5-13-8-7-12(2)16(13,14)10-9-15(17)18/h3,6,13H,1-2,4-5,7-11H2/t13-,16+/m1/s1
InChIKeyHQVMGZPVAZIGRN-CJNGLKHVSA-N
MW243.35 g/mol
LogP3.43
Rot. Bonds2

About (7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one

(7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one (PubChem CID 15984177) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one.

Molecular Properties

Compound Name(7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one
PubChem CID15984177
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one
SMILESC=CCN1C(=O)CC[C@]23C(=C)CC[C@H]2CCC=C13
InChIInChI=1S/C16H21NO/c1-3-11-17-14-6-4-5-13-8-7-12(2)16(13,14)10-9-15(17)18/h3,6,13H,1-2,4-5,7-11H2/t13-,16+/m1/s1
InChIKeyHQVMGZPVAZIGRN-CJNGLKHVSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one?
The IUPAC name of (7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one (CID 15984177) is (7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one.
What is the SMILES notation for (7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one?
The canonical SMILES for (7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one is C=CCN1C(=O)CC[C@]23C(=C)CC[C@H]2CCC=C13.
What is the InChIKey of (7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one?
The InChIKey is HQVMGZPVAZIGRN-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-11-17-14-6-4-5-13-8-7-12(2)16(13,14)10-9-15(17)18/h3,6,13H,1-2,4-5,7-11H2/t13-,16+/m1/s1.
What are the key properties of (7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one?
(7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one has a molecular weight of 243.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR,10aR)-10-methylidene-4-prop-2-enyl-2,6,7,7a,8,9-hexahydro-1H-cyclopenta[e]quinolin-3-one is sourced from PubChem (CID 15984177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).