2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione

C14H12O3 — CID 10059650

IUPAC2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(O)C1C=CCC1
InChIInChI=1S/C14H12O3/c15-12-10-7-3-4-8-11(10)13(16)14(12,17)9-5-1-2-6-9/h1,3-5,7-9,17H,2,6H2
InChIKeyHRHWHALIKLKNSC-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.76
Rot. Bonds1

About 2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione

2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione (PubChem CID 10059650) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione
PubChem CID10059650
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(O)C1C=CCC1
InChIInChI=1S/C14H12O3/c15-12-10-7-3-4-8-11(10)13(16)14(12,17)9-5-1-2-6-9/h1,3-5,7-9,17H,2,6H2
InChIKeyHRHWHALIKLKNSC-UHFFFAOYSA-N
XLogP1.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-cyclopent-2-en-1-yl-2-hydroxyindene-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

Related Compounds

9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol
CID 155931971
(1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one
CID 134919081
2,2-dihydroxyindene-1,3-dione;pyridine
CID 67634501
(2S,3R)-2,3-dihydroxy-3-(4-methylphenyl)-2H-naphthalene-1,4-dione
CID 168852274
(4aS,9aS)-9a-hydroxy-3,4,4a,10-tetrahydro-2H-anthracene-1,9-dione
CID 134876374
(1S,10S,11R,14R)-pentacyclo[8.4.4.111,14.01,10.03,8]nonadeca-3,5,7,12-tetraene-2,9,15,18-tetrone
CID 99641371
pentacyclo[8.4.4.111,14.01,10.03,8]nonadeca-3,5,7,12-tetraene-2,9,15,18-tetrone
CID 56695141
(4aR,10bR)-2,4a,5,10b-tetrahydro-1H-phenanthridin-6-one
CID 138964484
(1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid
CID 14068816
(9aR)-1,2,4a,9a-tetrahydrothioxanthen-9-one
CID 126606929
1,2,4a,9a-tetrahydrothioxanthen-9-one
CID 70930166
2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione
CID 70982058

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione?
The IUPAC name of 2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione (CID 10059650) is 2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione?
The canonical SMILES for 2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione is O=C1c2ccccc2C(=O)C1(O)C1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione?
The InChIKey is HRHWHALIKLKNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-12-10-7-3-4-8-11(10)13(16)14(12,17)9-5-1-2-6-9/h1,3-5,7-9,17H,2,6H2.
What are the key properties of 2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione?
2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione has a molecular weight of 228.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione is sourced from PubChem (CID 10059650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).