4-(2-oxopentyl)cyclopent-4-ene-1,3-dione

C10H12O3 — CID 162256659

IUPAC4-(2-oxopentyl)cyclopent-4-ene-1,3-dione
SMILESCCCC(=O)CC1=CC(=O)CC1=O
InChIInChI=1S/C10H12O3/c1-2-3-8(11)4-7-5-9(12)6-10(7)13/h5H,2-4,6H2,1H3
InChIKeyNLFACKPEEWMQFJ-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.21
Rot. Bonds4

About 4-(2-oxopentyl)cyclopent-4-ene-1,3-dione

4-(2-oxopentyl)cyclopent-4-ene-1,3-dione (PubChem CID 162256659) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 4-(2-oxopentyl)cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name4-(2-oxopentyl)cyclopent-4-ene-1,3-dione
PubChem CID162256659
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name4-(2-oxopentyl)cyclopent-4-ene-1,3-dione
SMILESCCCC(=O)CC1=CC(=O)CC1=O
InChIInChI=1S/C10H12O3/c1-2-3-8(11)4-7-5-9(12)6-10(7)13/h5H,2-4,6H2,1H3
InChIKeyNLFACKPEEWMQFJ-UHFFFAOYSA-N
XLogP1.21
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-(2-oxopentyl)cyclopent-4-ene-1,3-dione 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 4-(2-oxopentyl)cyclopent-4-ene-1,3-dione?
The IUPAC name of 4-(2-oxopentyl)cyclopent-4-ene-1,3-dione (CID 162256659) is 4-(2-oxopentyl)cyclopent-4-ene-1,3-dione.
What is the SMILES notation for 4-(2-oxopentyl)cyclopent-4-ene-1,3-dione?
The canonical SMILES for 4-(2-oxopentyl)cyclopent-4-ene-1,3-dione is CCCC(=O)CC1=CC(=O)CC1=O.
What is the InChIKey of 4-(2-oxopentyl)cyclopent-4-ene-1,3-dione?
The InChIKey is NLFACKPEEWMQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-3-8(11)4-7-5-9(12)6-10(7)13/h5H,2-4,6H2,1H3.
What are the key properties of 4-(2-oxopentyl)cyclopent-4-ene-1,3-dione?
4-(2-oxopentyl)cyclopent-4-ene-1,3-dione has a molecular weight of 180.20 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopentyl)cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 162256659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).