2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one

C5H8N2O — CID 90335493

IUPAC2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one
SMILESCN1C(=O)NC2CC21
InChIInChI=1S/C5H8N2O/c1-7-4-2-3(4)6-5(7)8/h3-4H,2H2,1H3,(H,6,8)
InChIKeyMWDYWDGKGZHCSY-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.22
Rot. Bonds

About 2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one

2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one (PubChem CID 90335493) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one
PubChem CID90335493
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one
SMILESCN1C(=O)NC2CC21
InChIInChI=1S/C5H8N2O/c1-7-4-2-3(4)6-5(7)8/h3-4H,2H2,1H3,(H,6,8)
InChIKeyMWDYWDGKGZHCSY-UHFFFAOYSA-N
XLogP-0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-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-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one?
The IUPAC name of 2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one (CID 90335493) is 2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for 2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one?
The canonical SMILES for 2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one is CN1C(=O)NC2CC21.
What is the InChIKey of 2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one?
The InChIKey is MWDYWDGKGZHCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-7-4-2-3(4)6-5(7)8/h3-4H,2H2,1H3,(H,6,8).
What are the key properties of 2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one?
2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one has a molecular weight of 112.13 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,4-diazabicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 90335493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).