2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one

C9H12O2 — CID 134978023

IUPAC2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one
SMILESC=C[C@H](O)C1=CCCCC1=O
InChIInChI=1S/C9H12O2/c1-2-8(10)7-5-3-4-6-9(7)11/h2,5,8,10H,1,3-4,6H2/t8-/m0/s1
InChIKeyKPFLTCQQWJFRFO-QMMMGPOBSA-N
MW152.19 g/mol
LogP1.21
Rot. Bonds2

About 2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one

2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one (PubChem CID 134978023) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one
PubChem CID134978023
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one
SMILESC=C[C@H](O)C1=CCCCC1=O
InChIInChI=1S/C9H12O2/c1-2-8(10)7-5-3-4-6-9(7)11/h2,5,8,10H,1,3-4,6H2/t8-/m0/s1
InChIKeyKPFLTCQQWJFRFO-QMMMGPOBSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one?
The IUPAC name of 2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one (CID 134978023) is 2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for 2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one?
The canonical SMILES for 2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one is C=C[C@H](O)C1=CCCCC1=O.
What is the InChIKey of 2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one?
The InChIKey is KPFLTCQQWJFRFO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-8(10)7-5-3-4-6-9(7)11/h2,5,8,10H,1,3-4,6H2/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one?
2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 134978023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).