7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde

C11H12O2 — CID 11217550

IUPAC7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde
SMILESCC12CCCC(C=O)=C1C=CC2=O
InChIInChI=1S/C11H12O2/c1-11-6-2-3-8(7-12)9(11)4-5-10(11)13/h4-5,7H,2-3,6H2,1H3
InChIKeyACXRKYSWGLYIQM-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.81
Rot. Bonds1

About 7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde

7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde (PubChem CID 11217550) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde.

Molecular Properties

Compound Name7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde
PubChem CID11217550
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde
SMILESCC12CCCC(C=O)=C1C=CC2=O
InChIInChI=1S/C11H12O2/c1-11-6-2-3-8(7-12)9(11)4-5-10(11)13/h4-5,7H,2-3,6H2,1H3
InChIKeyACXRKYSWGLYIQM-UHFFFAOYSA-N
XLogP1.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde 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 7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde?
The IUPAC name of 7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde (CID 11217550) is 7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde.
What is the SMILES notation for 7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde?
The canonical SMILES for 7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde is CC12CCCC(C=O)=C1C=CC2=O.
What is the InChIKey of 7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde?
The InChIKey is ACXRKYSWGLYIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-11-6-2-3-8(7-12)9(11)4-5-10(11)13/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde?
7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-1-oxo-6,7-dihydro-5H-indene-4-carbaldehyde is sourced from PubChem (CID 11217550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).