1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one

C15H22O — CID 527231

IUPAC1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one
SMILESCC1=C2C=C(C(=O)C(C)C)CC2(C)CCC1
InChIInChI=1S/C15H22O/c1-10(2)14(16)12-8-13-11(3)6-5-7-15(13,4)9-12/h8,10H,5-7,9H2,1-4H3
InChIKeyAUHXWVNWVPJIJR-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.05
Rot. Bonds2

About 1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one

1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one (PubChem CID 527231) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one
PubChem CID527231
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one
SMILESCC1=C2C=C(C(=O)C(C)C)CC2(C)CCC1
InChIInChI=1S/C15H22O/c1-10(2)14(16)12-8-13-11(3)6-5-7-15(13,4)9-12/h8,10H,5-7,9H2,1-4H3
InChIKeyAUHXWVNWVPJIJR-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-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-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one (CID 527231) is 1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one is CC1=C2C=C(C(=O)C(C)C)CC2(C)CCC1.
What is the InChIKey of 1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one?
The InChIKey is AUHXWVNWVPJIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-10(2)14(16)12-8-13-11(3)6-5-7-15(13,4)9-12/h8,10H,5-7,9H2,1-4H3.
What are the key properties of 1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one?
1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 527231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).