4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one

C16H19NO — CID 70192416

IUPAC4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one
SMILESC=CCN1C(=O)CCC2C3C=CC=CC3C=CC21
InChIInChI=1S/C16H19NO/c1-2-11-17-15-9-7-12-5-3-4-6-13(12)14(15)8-10-16(17)18/h2-7,9,12-15H,1,8,10-11H2
InChIKeyXGOZOKKDNUTTQN-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.71
Rot. Bonds2

About 4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one

4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one (PubChem CID 70192416) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one
PubChem CID70192416
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one
SMILESC=CCN1C(=O)CCC2C3C=CC=CC3C=CC21
InChIInChI=1S/C16H19NO/c1-2-11-17-15-9-7-12-5-3-4-6-13(12)14(15)8-10-16(17)18/h2-7,9,12-15H,1,8,10-11H2
InChIKeyXGOZOKKDNUTTQN-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]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 4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one?
The IUPAC name of 4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one (CID 70192416) is 4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for 4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one?
The canonical SMILES for 4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one is C=CCN1C(=O)CCC2C3C=CC=CC3C=CC21.
What is the InChIKey of 4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one?
The InChIKey is XGOZOKKDNUTTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-11-17-15-9-7-12-5-3-4-6-13(12)14(15)8-10-16(17)18/h2-7,9,12-15H,1,8,10-11H2.
What are the key properties of 4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one?
4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one has a molecular weight of 241.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 70192416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).