7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C10H13NO3 — CID 70592937

IUPAC7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESCC(C)C1=C(C(=O)O)N2C(=O)CC2C1
InChIInChI=1S/C10H13NO3/c1-5(2)7-3-6-4-8(12)11(6)9(7)10(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyUANPBNUYMLOHBN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.99
Rot. Bonds2

About 7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 70592937) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID70592937
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESCC(C)C1=C(C(=O)O)N2C(=O)CC2C1
InChIInChI=1S/C10H13NO3/c1-5(2)7-3-6-4-8(12)11(6)9(7)10(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyUANPBNUYMLOHBN-UHFFFAOYSA-N
XLogP0.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 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 7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The IUPAC name of 7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 70592937) is 7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for 7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The canonical SMILES for 7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is CC(C)C1=C(C(=O)O)N2C(=O)CC2C1.
What is the InChIKey of 7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The InChIKey is UANPBNUYMLOHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-5(2)7-3-6-4-8(12)11(6)9(7)10(13)14/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-3-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 70592937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).