5-methyl-1,3,3a,7a-tetrahydroinden-2-one

C10H12O — CID 58169662

IUPAC5-methyl-1,3,3a,7a-tetrahydroinden-2-one
SMILESCC1=CC2CC(=O)CC2C=C1
InChIInChI=1S/C10H12O/c1-7-2-3-8-5-10(11)6-9(8)4-7/h2-4,8-9H,5-6H2,1H3
InChIKeyFYSVNZICKRIDFV-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.10
Rot. Bonds

About 5-methyl-1,3,3a,7a-tetrahydroinden-2-one

5-methyl-1,3,3a,7a-tetrahydroinden-2-one (PubChem CID 58169662) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 5-methyl-1,3,3a,7a-tetrahydroinden-2-one.

Molecular Properties

Compound Name5-methyl-1,3,3a,7a-tetrahydroinden-2-one
PubChem CID58169662
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name5-methyl-1,3,3a,7a-tetrahydroinden-2-one
SMILESCC1=CC2CC(=O)CC2C=C1
InChIInChI=1S/C10H12O/c1-7-2-3-8-5-10(11)6-9(8)4-7/h2-4,8-9H,5-6H2,1H3
InChIKeyFYSVNZICKRIDFV-UHFFFAOYSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-1,3,3a,7a-tetrahydroinden-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 5-methyl-1,3,3a,7a-tetrahydroinden-2-one?
The IUPAC name of 5-methyl-1,3,3a,7a-tetrahydroinden-2-one (CID 58169662) is 5-methyl-1,3,3a,7a-tetrahydroinden-2-one.
What is the SMILES notation for 5-methyl-1,3,3a,7a-tetrahydroinden-2-one?
The canonical SMILES for 5-methyl-1,3,3a,7a-tetrahydroinden-2-one is CC1=CC2CC(=O)CC2C=C1.
What is the InChIKey of 5-methyl-1,3,3a,7a-tetrahydroinden-2-one?
The InChIKey is FYSVNZICKRIDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-2-3-8-5-10(11)6-9(8)4-7/h2-4,8-9H,5-6H2,1H3.
What are the key properties of 5-methyl-1,3,3a,7a-tetrahydroinden-2-one?
5-methyl-1,3,3a,7a-tetrahydroinden-2-one has a molecular weight of 148.20 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,3a,7a-tetrahydroinden-2-one is sourced from PubChem (CID 58169662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).