5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one

C12H17NO2 — CID 132534473

IUPAC5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one
SMILESC=CCc1c(C2CCCCC2)o[nH]c1=O
InChIInChI=1S/C12H17NO2/c1-2-6-10-11(15-13-12(10)14)9-7-4-3-5-8-9/h2,9H,1,3-8H2,(H,13,14)
InChIKeyXMDHCGFKDHENNX-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.74
Rot. Bonds3

About 5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one

5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one (PubChem CID 132534473) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one
PubChem CID132534473
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one
SMILESC=CCc1c(C2CCCCC2)o[nH]c1=O
InChIInChI=1S/C12H17NO2/c1-2-6-10-11(15-13-12(10)14)9-7-4-3-5-8-9/h2,9H,1,3-8H2,(H,13,14)
InChIKeyXMDHCGFKDHENNX-UHFFFAOYSA-N
XLogP2.74
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one?
The IUPAC name of 5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one (CID 132534473) is 5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one.
What is the SMILES notation for 5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one?
The canonical SMILES for 5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one is C=CCc1c(C2CCCCC2)o[nH]c1=O.
What is the InChIKey of 5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one?
The InChIKey is XMDHCGFKDHENNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-6-10-11(15-13-12(10)14)9-7-4-3-5-8-9/h2,9H,1,3-8H2,(H,13,14).
What are the key properties of 5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one?
5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one has a molecular weight of 207.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one is sourced from PubChem (CID 132534473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).