2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

C8H12N2O3 — CID 58849994

IUPAC2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SMILESCNC1C(=O)N2C(C(C)=O)COC12
InChIInChI=1S/C8H12N2O3/c1-4(11)5-3-13-8-6(9-2)7(12)10(5)8/h5-6,8-9H,3H2,1-2H3
InChIKeyCPOASRSPNGXXQG-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.27
Rot. Bonds2

About 2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 58849994) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID58849994
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SMILESCNC1C(=O)N2C(C(C)=O)COC12
InChIInChI=1S/C8H12N2O3/c1-4(11)5-3-13-8-6(9-2)7(12)10(5)8/h5-6,8-9H,3H2,1-2H3
InChIKeyCPOASRSPNGXXQG-UHFFFAOYSA-N
XLogP-1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-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-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of 2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (CID 58849994) is 2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for 2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for 2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one is CNC1C(=O)N2C(C(C)=O)COC12.
What is the InChIKey of 2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is CPOASRSPNGXXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4(11)5-3-13-8-6(9-2)7(12)10(5)8/h5-6,8-9H,3H2,1-2H3.
What are the key properties of 2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 184.19 g/mol, XLogP of -1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 58849994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).