(5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one

C7H8O2 — CID 102154737

IUPAC(5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one
SMILESO=C1C=CC/C1=C/CO
InChIInChI=1S/C7H8O2/c8-5-4-6-2-1-3-7(6)9/h1,3-4,8H,2,5H2/b6-4-
InChIKeyXHEVUYMRVRWNMB-XQRVVYSFSA-N
MW124.14 g/mol
LogP0.43
Rot. Bonds1

About (5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one

(5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one (PubChem CID 102154737) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is (5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one
PubChem CID102154737
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name(5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one
SMILESO=C1C=CC/C1=C/CO
InChIInChI=1S/C7H8O2/c8-5-4-6-2-1-3-7(6)9/h1,3-4,8H,2,5H2/b6-4-
InChIKeyXHEVUYMRVRWNMB-XQRVVYSFSA-N
XLogP0.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one?
The IUPAC name of (5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one (CID 102154737) is (5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one?
The canonical SMILES for (5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one is O=C1C=CC/C1=C/CO.
What is the InChIKey of (5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one?
The InChIKey is XHEVUYMRVRWNMB-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H8O2/c8-5-4-6-2-1-3-7(6)9/h1,3-4,8H,2,5H2/b6-4-.
What are the key properties of (5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one?
(5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one has a molecular weight of 124.14 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2-hydroxyethylidene)cyclopent-2-en-1-one is sourced from PubChem (CID 102154737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).