2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one

C11H16O2 — CID 171118576

IUPAC2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one
SMILESCC1=C(C/C=C/CCO)C(=O)CC1
InChIInChI=1S/C11H16O2/c1-9-6-7-11(13)10(9)5-3-2-4-8-12/h2-3,12H,4-8H2,1H3/b3-2+
InChIKeyGNZGMEFSZMZQOK-NSCUHMNNSA-N
MW180.25 g/mol
LogP1.99
Rot. Bonds4

About 2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one

2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one (PubChem CID 171118576) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one
PubChem CID171118576
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one
SMILESCC1=C(C/C=C/CCO)C(=O)CC1
InChIInChI=1S/C11H16O2/c1-9-6-7-11(13)10(9)5-3-2-4-8-12/h2-3,12H,4-8H2,1H3/b3-2+
InChIKeyGNZGMEFSZMZQOK-NSCUHMNNSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one?
The IUPAC name of 2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one (CID 171118576) is 2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one is CC1=C(C/C=C/CCO)C(=O)CC1.
What is the InChIKey of 2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one?
The InChIKey is GNZGMEFSZMZQOK-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H16O2/c1-9-6-7-11(13)10(9)5-3-2-4-8-12/h2-3,12H,4-8H2,1H3/b3-2+.
What are the key properties of 2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one?
2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 171118576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).