3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one

C7H9NO2 — CID 83845395

IUPAC3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one
SMILESCC1C(=O)ON=C1C1CC1
InChIInChI=1S/C7H9NO2/c1-4-6(5-2-3-5)8-10-7(4)9/h4-5H,2-3H2,1H3
InChIKeyBONPYSCRDSAGAE-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.95
Rot. Bonds1

About 3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one

3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one (PubChem CID 83845395) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one
PubChem CID83845395
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one
SMILESCC1C(=O)ON=C1C1CC1
InChIInChI=1S/C7H9NO2/c1-4-6(5-2-3-5)8-10-7(4)9/h4-5H,2-3H2,1H3
InChIKeyBONPYSCRDSAGAE-UHFFFAOYSA-N
XLogP0.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one?
The IUPAC name of 3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one (CID 83845395) is 3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one is CC1C(=O)ON=C1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one?
The InChIKey is BONPYSCRDSAGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-4-6(5-2-3-5)8-10-7(4)9/h4-5H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one?
3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one has a molecular weight of 139.15 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one is sourced from PubChem (CID 83845395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).