6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one

C9H13NO — CID 123657299

IUPAC6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one
SMILESCC1=CC2NCCC2CC1=O
InChIInChI=1S/C9H13NO/c1-6-4-8-7(2-3-10-8)5-9(6)11/h4,7-8,10H,2-3,5H2,1H3
InChIKeyPPQYXJMUEKHQKX-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.88
Rot. Bonds

About 6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one

6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one (PubChem CID 123657299) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one.

Molecular Properties

Compound Name6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one
PubChem CID123657299
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one
SMILESCC1=CC2NCCC2CC1=O
InChIInChI=1S/C9H13NO/c1-6-4-8-7(2-3-10-8)5-9(6)11/h4,7-8,10H,2-3,5H2,1H3
InChIKeyPPQYXJMUEKHQKX-UHFFFAOYSA-N
XLogP0.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-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 6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one?
The IUPAC name of 6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one (CID 123657299) is 6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one.
What is the SMILES notation for 6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one?
The canonical SMILES for 6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one is CC1=CC2NCCC2CC1=O.
What is the InChIKey of 6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one?
The InChIKey is PPQYXJMUEKHQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-4-8-7(2-3-10-8)5-9(6)11/h4,7-8,10H,2-3,5H2,1H3.
What are the key properties of 6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one?
6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one has a molecular weight of 151.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,3a,4,7a-hexahydroindol-5-one is sourced from PubChem (CID 123657299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).