5-(3-hydroxypropylidene)cyclopent-2-en-1-one

C8H10O2 — CID 123999113

IUPAC5-(3-hydroxypropylidene)cyclopent-2-en-1-one
SMILESO=C1C=CCC1=CCCO
InChIInChI=1S/C8H10O2/c9-6-2-4-7-3-1-5-8(7)10/h1,4-5,9H,2-3,6H2
InChIKeyGMRJECDCPJLKPX-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.82
Rot. Bonds2

About 5-(3-hydroxypropylidene)cyclopent-2-en-1-one

5-(3-hydroxypropylidene)cyclopent-2-en-1-one (PubChem CID 123999113) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-(3-hydroxypropylidene)cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-(3-hydroxypropylidene)cyclopent-2-en-1-one
PubChem CID123999113
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5-(3-hydroxypropylidene)cyclopent-2-en-1-one
SMILESO=C1C=CCC1=CCCO
InChIInChI=1S/C8H10O2/c9-6-2-4-7-3-1-5-8(7)10/h1,4-5,9H,2-3,6H2
InChIKeyGMRJECDCPJLKPX-UHFFFAOYSA-N
XLogP0.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.82
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 5-(3-hydroxypropylidene)cyclopent-2-en-1-one?
The IUPAC name of 5-(3-hydroxypropylidene)cyclopent-2-en-1-one (CID 123999113) is 5-(3-hydroxypropylidene)cyclopent-2-en-1-one.
What is the SMILES notation for 5-(3-hydroxypropylidene)cyclopent-2-en-1-one?
The canonical SMILES for 5-(3-hydroxypropylidene)cyclopent-2-en-1-one is O=C1C=CCC1=CCCO.
What is the InChIKey of 5-(3-hydroxypropylidene)cyclopent-2-en-1-one?
The InChIKey is GMRJECDCPJLKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-6-2-4-7-3-1-5-8(7)10/h1,4-5,9H,2-3,6H2.
What are the key properties of 5-(3-hydroxypropylidene)cyclopent-2-en-1-one?
5-(3-hydroxypropylidene)cyclopent-2-en-1-one has a molecular weight of 138.17 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropylidene)cyclopent-2-en-1-one is sourced from PubChem (CID 123999113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).