4-methyl-1,2-dihydrocyclopenta[b]indol-3-one

C12H11NO — CID 11816282

IUPAC4-methyl-1,2-dihydrocyclopenta[b]indol-3-one
SMILESCn1c2c(c3ccccc31)CCC2=O
InChIInChI=1S/C12H11NO/c1-13-10-5-3-2-4-8(10)9-6-7-11(14)12(9)13/h2-5H,6-7H2,1H3
InChIKeyJHRAQVUUGFXPMG-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.31
Rot. Bonds

About 4-methyl-1,2-dihydrocyclopenta[b]indol-3-one

4-methyl-1,2-dihydrocyclopenta[b]indol-3-one (PubChem CID 11816282) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-methyl-1,2-dihydrocyclopenta[b]indol-3-one.

Molecular Properties

Compound Name4-methyl-1,2-dihydrocyclopenta[b]indol-3-one
PubChem CID11816282
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4-methyl-1,2-dihydrocyclopenta[b]indol-3-one
SMILESCn1c2c(c3ccccc31)CCC2=O
InChIInChI=1S/C12H11NO/c1-13-10-5-3-2-4-8(10)9-6-7-11(14)12(9)13/h2-5H,6-7H2,1H3
InChIKeyJHRAQVUUGFXPMG-UHFFFAOYSA-N
XLogP2.31
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-methyl-1,2-dihydrocyclopenta[b]indol-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-methyl-1,2-dihydrocyclopenta[b]indol-3-one?
The IUPAC name of 4-methyl-1,2-dihydrocyclopenta[b]indol-3-one (CID 11816282) is 4-methyl-1,2-dihydrocyclopenta[b]indol-3-one.
What is the SMILES notation for 4-methyl-1,2-dihydrocyclopenta[b]indol-3-one?
The canonical SMILES for 4-methyl-1,2-dihydrocyclopenta[b]indol-3-one is Cn1c2c(c3ccccc31)CCC2=O.
What is the InChIKey of 4-methyl-1,2-dihydrocyclopenta[b]indol-3-one?
The InChIKey is JHRAQVUUGFXPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-13-10-5-3-2-4-8(10)9-6-7-11(14)12(9)13/h2-5H,6-7H2,1H3.
What are the key properties of 4-methyl-1,2-dihydrocyclopenta[b]indol-3-one?
4-methyl-1,2-dihydrocyclopenta[b]indol-3-one has a molecular weight of 185.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-dihydrocyclopenta[b]indol-3-one is sourced from PubChem (CID 11816282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).