6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one

C6H10N2O — CID 141144834

IUPAC6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one
SMILESCC12CNCCN1C2=O
InChIInChI=1S/C6H10N2O/c1-6-4-7-2-3-8(6)5(6)9/h7H,2-4H2,1H3
InChIKeyYDPNFNCWMDYRAP-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.81
Rot. Bonds

About 6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one

6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one (PubChem CID 141144834) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one.

Molecular Properties

Compound Name6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one
PubChem CID141144834
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one
SMILESCC12CNCCN1C2=O
InChIInChI=1S/C6H10N2O/c1-6-4-7-2-3-8(6)5(6)9/h7H,2-4H2,1H3
InChIKeyYDPNFNCWMDYRAP-UHFFFAOYSA-N
XLogP-0.81
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one?
The IUPAC name of 6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one (CID 141144834) is 6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one.
What is the SMILES notation for 6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one?
The canonical SMILES for 6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one is CC12CNCCN1C2=O.
What is the InChIKey of 6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one?
The InChIKey is YDPNFNCWMDYRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6-4-7-2-3-8(6)5(6)9/h7H,2-4H2,1H3.
What are the key properties of 6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one?
6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one has a molecular weight of 126.16 g/mol, XLogP of -0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one is sourced from PubChem (CID 141144834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).