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

C9H13NO — CID 123911715

IUPAC5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one
SMILESCC1=CCC2NCCC2C1=O
InChIInChI=1S/C9H13NO/c1-6-2-3-8-7(9(6)11)4-5-10-8/h2,7-8,10H,3-5H2,1H3
InChIKeyMQNKWFXDKHYCPB-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.88
Rot. Bonds

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

5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one (PubChem CID 123911715) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one.

Molecular Properties

Compound Name5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one
PubChem CID123911715
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one
SMILESCC1=CCC2NCCC2C1=O
InChIInChI=1S/C9H13NO/c1-6-2-3-8-7(9(6)11)4-5-10-8/h2,7-8,10H,3-5H2,1H3
InChIKeyMQNKWFXDKHYCPB-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 5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-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 5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one?
The IUPAC name of 5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one (CID 123911715) is 5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one.
What is the SMILES notation for 5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one?
The canonical SMILES for 5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one is CC1=CCC2NCCC2C1=O.
What is the InChIKey of 5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one?
The InChIKey is MQNKWFXDKHYCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-2-3-8-7(9(6)11)4-5-10-8/h2,7-8,10H,3-5H2,1H3.
What are the key properties of 5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one?
5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-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 5-methyl-1,2,3,3a,7,7a-hexahydroindol-4-one is sourced from PubChem (CID 123911715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).