4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one

C19H19NO — CID 11832713

IUPAC4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one
SMILESCc1ccc(C2CC(=O)CC3c4ccccc4CN23)cc1
InChIInChI=1S/C19H19NO/c1-13-6-8-14(9-7-13)18-10-16(21)11-19-17-5-3-2-4-15(17)12-20(18)19/h2-9,18-19H,10-12H2,1H3
InChIKeyUVAAASJWNNTALW-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.96
Rot. Bonds1

About 4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one

4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one (PubChem CID 11832713) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one
PubChem CID11832713
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one
SMILESCc1ccc(C2CC(=O)CC3c4ccccc4CN23)cc1
InChIInChI=1S/C19H19NO/c1-13-6-8-14(9-7-13)18-10-16(21)11-19-17-5-3-2-4-15(17)12-20(18)19/h2-9,18-19H,10-12H2,1H3
InChIKeyUVAAASJWNNTALW-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-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-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one?
The IUPAC name of 4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one (CID 11832713) is 4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one?
The canonical SMILES for 4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one is Cc1ccc(C2CC(=O)CC3c4ccccc4CN23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one?
The InChIKey is UVAAASJWNNTALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-13-6-8-14(9-7-13)18-10-16(21)11-19-17-5-3-2-4-15(17)12-20(18)19/h2-9,18-19H,10-12H2,1H3.
What are the key properties of 4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one?
4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one has a molecular weight of 277.37 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one is sourced from PubChem (CID 11832713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).