3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one

C11H15NO3 — CID 11735941

IUPAC3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one
SMILESCC1=CCC(C(=O)N2CCOC2=O)CC1
InChIInChI=1S/C11H15NO3/c1-8-2-4-9(5-3-8)10(13)12-6-7-15-11(12)14/h2,9H,3-7H2,1H3
InChIKeyPBANQDWIHKRKGO-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.71
Rot. Bonds1

About 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one

3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 11735941) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one
PubChem CID11735941
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one
SMILESCC1=CCC(C(=O)N2CCOC2=O)CC1
InChIInChI=1S/C11H15NO3/c1-8-2-4-9(5-3-8)10(13)12-6-7-15-11(12)14/h2,9H,3-7H2,1H3
InChIKeyPBANQDWIHKRKGO-UHFFFAOYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one (CID 11735941) is 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one is CC1=CCC(C(=O)N2CCOC2=O)CC1.
What is the InChIKey of 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is PBANQDWIHKRKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-2-4-9(5-3-8)10(13)12-6-7-15-11(12)14/h2,9H,3-7H2,1H3.
What are the key properties of 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one?
3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 209.24 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11735941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).