2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one

C7H9NO — CID 140995794

IUPAC2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCC1=CCC2CC(=O)N12
InChIInChI=1S/C7H9NO/c1-5-2-3-6-4-7(9)8(5)6/h2,6H,3-4H2,1H3
InChIKeyGJUIRYXOKRJRFF-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.89
Rot. Bonds

About 2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one

2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 140995794) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID140995794
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCC1=CCC2CC(=O)N12
InChIInChI=1S/C7H9NO/c1-5-2-3-6-4-7(9)8(5)6/h2,6H,3-4H2,1H3
InChIKeyGJUIRYXOKRJRFF-UHFFFAOYSA-N
XLogP0.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of 2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one (CID 140995794) is 2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for 2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for 2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one is CC1=CCC2CC(=O)N12.
What is the InChIKey of 2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is GJUIRYXOKRJRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-2-3-6-4-7(9)8(5)6/h2,6H,3-4H2,1H3.
What are the key properties of 2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 123.15 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 140995794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).