1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one

C7H11NO — CID 130010562

IUPAC1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one
SMILESCC12CCC1(C)C(=O)N2
InChIInChI=1S/C7H11NO/c1-6-3-4-7(6,2)8-5(6)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyYRHVORCTWYXLIN-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.68
Rot. Bonds

About 1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one

1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one (PubChem CID 130010562) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one.

Molecular Properties

Compound Name1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one
PubChem CID130010562
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one
SMILESCC12CCC1(C)C(=O)N2
InChIInChI=1S/C7H11NO/c1-6-3-4-7(6,2)8-5(6)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyYRHVORCTWYXLIN-UHFFFAOYSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one?
The IUPAC name of 1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one (CID 130010562) is 1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one.
What is the SMILES notation for 1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one?
The canonical SMILES for 1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one is CC12CCC1(C)C(=O)N2.
What is the InChIKey of 1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one?
The InChIKey is YRHVORCTWYXLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-4-7(6,2)8-5(6)9/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one?
1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one has a molecular weight of 125.17 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-azabicyclo[2.2.0]hexan-3-one is sourced from PubChem (CID 130010562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).