2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one

C10H16O2 — CID 131237601

IUPAC2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one
SMILESCC(O)/C=C/CC1CCCC1=O
InChIInChI=1S/C10H16O2/c1-8(11)4-2-5-9-6-3-7-10(9)12/h2,4,8-9,11H,3,5-7H2,1H3/b4-2+
InChIKeyKXNYWEWDFZTKKR-DUXPYHPUSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds3

About 2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one

2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one (PubChem CID 131237601) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one
PubChem CID131237601
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one
SMILESCC(O)/C=C/CC1CCCC1=O
InChIInChI=1S/C10H16O2/c1-8(11)4-2-5-9-6-3-7-10(9)12/h2,4,8-9,11H,3,5-7H2,1H3/b4-2+
InChIKeyKXNYWEWDFZTKKR-DUXPYHPUSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
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)-4-hydroxypent-2-enyl]cyclopentan-1-one?
The IUPAC name of 2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one (CID 131237601) is 2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one?
The canonical SMILES for 2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one is CC(O)/C=C/CC1CCCC1=O.
What is the InChIKey of 2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one?
The InChIKey is KXNYWEWDFZTKKR-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(11)4-2-5-9-6-3-7-10(9)12/h2,4,8-9,11H,3,5-7H2,1H3/b4-2+.
What are the key properties of 2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one?
2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-hydroxypent-2-enyl]cyclopentan-1-one is sourced from PubChem (CID 131237601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).