1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one

C10H15NO — CID 59301151

IUPAC1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one
SMILESCC1=C2C(CCC1)CC(=O)N2C
InChIInChI=1S/C10H15NO/c1-7-4-3-5-8-6-9(12)11(2)10(7)8/h8H,3-6H2,1-2H3
InChIKeyUDJDOBYOZGVOSD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.92
Rot. Bonds

About 1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one

1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one (PubChem CID 59301151) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one.

Molecular Properties

Compound Name1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one
PubChem CID59301151
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one
SMILESCC1=C2C(CCC1)CC(=O)N2C
InChIInChI=1S/C10H15NO/c1-7-4-3-5-8-6-9(12)11(2)10(7)8/h8H,3-6H2,1-2H3
InChIKeyUDJDOBYOZGVOSD-UHFFFAOYSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-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 1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one?
The IUPAC name of 1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one (CID 59301151) is 1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one.
What is the SMILES notation for 1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one?
The canonical SMILES for 1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one is CC1=C2C(CCC1)CC(=O)N2C.
What is the InChIKey of 1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one?
The InChIKey is UDJDOBYOZGVOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-4-3-5-8-6-9(12)11(2)10(7)8/h8H,3-6H2,1-2H3.
What are the key properties of 1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one?
1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3a,4,5,6-tetrahydro-3H-indol-2-one is sourced from PubChem (CID 59301151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).