2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one

C10H14O2 — CID 5374041

IUPAC2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one
SMILESC/C=C\CC1=C(C)C(O)CC1=O
InChIInChI=1S/C10H14O2/c1-3-4-5-8-7(2)9(11)6-10(8)12/h3-4,9,11H,5-6H2,1-2H3/b4-3-
InChIKeyYLKLJBPHNWWPSF-ARJAWSKDSA-N
MW166.22 g/mol
LogP1.60
Rot. Bonds2

About 2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one

2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one (PubChem CID 5374041) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one
PubChem CID5374041
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one
SMILESC/C=C\CC1=C(C)C(O)CC1=O
InChIInChI=1S/C10H14O2/c1-3-4-5-8-7(2)9(11)6-10(8)12/h3-4,9,11H,5-6H2,1-2H3/b4-3-
InChIKeyYLKLJBPHNWWPSF-ARJAWSKDSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.60
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-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one?
The IUPAC name of 2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one (CID 5374041) is 2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one is C/C=C\CC1=C(C)C(O)CC1=O.
What is the InChIKey of 2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one?
The InChIKey is YLKLJBPHNWWPSF-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-4-5-8-7(2)9(11)6-10(8)12/h3-4,9,11H,5-6H2,1-2H3/b4-3-.
What are the key properties of 2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one?
2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-enyl]-4-hydroxy-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 5374041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).