3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

C12H17NO3 — CID 11229810

IUPAC3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCC1=C(C)C[C@@H](C(=O)N2CCOC2=O)CC1
InChIInChI=1S/C12H17NO3/c1-8-3-4-10(7-9(8)2)11(14)13-5-6-16-12(13)15/h10H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyNIMBYAREAAJLJU-JTQLQIEISA-N
MW223.27 g/mol
LogP2.10
Rot. Bonds1

About 3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 11229810) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID11229810
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCC1=C(C)C[C@@H](C(=O)N2CCOC2=O)CC1
InChIInChI=1S/C12H17NO3/c1-8-3-4-10(7-9(8)2)11(14)13-5-6-16-12(13)15/h10H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyNIMBYAREAAJLJU-JTQLQIEISA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-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 3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (CID 11229810) is 3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is CC1=C(C)C[C@@H](C(=O)N2CCOC2=O)CC1.
What is the InChIKey of 3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is NIMBYAREAAJLJU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-3-4-10(7-9(8)2)11(14)13-5-6-16-12(13)15/h10H,3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 223.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11229810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).