5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one

C10H12O2 — CID 23572853

IUPAC5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
SMILESCC1CC(C)c2c1occc2=O
InChIInChI=1S/C10H12O2/c1-6-5-7(2)10-9(6)8(11)3-4-12-10/h3-4,6-7H,5H2,1-2H3
InChIKeyDGERDASNNZWRLS-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.25
Rot. Bonds

About 5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one

5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one (PubChem CID 23572853) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one.

Molecular Properties

Compound Name5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
PubChem CID23572853
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
SMILESCC1CC(C)c2c1occc2=O
InChIInChI=1S/C10H12O2/c1-6-5-7(2)10-9(6)8(11)3-4-12-10/h3-4,6-7H,5H2,1-2H3
InChIKeyDGERDASNNZWRLS-UHFFFAOYSA-N
XLogP2.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-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 5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
The IUPAC name of 5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one (CID 23572853) is 5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one.
What is the SMILES notation for 5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
The canonical SMILES for 5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one is CC1CC(C)c2c1occc2=O.
What is the InChIKey of 5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
The InChIKey is DGERDASNNZWRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6-5-7(2)10-9(6)8(11)3-4-12-10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one has a molecular weight of 164.20 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one is sourced from PubChem (CID 23572853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).