2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one

C7H12N2O — CID 123341246

IUPAC2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one
SMILESCN1CCC2C1C(=O)N2C
InChIInChI=1S/C7H12N2O/c1-8-4-3-5-6(8)7(10)9(5)2/h5-6H,3-4H2,1-2H3
InChIKeyWXICXPLSDHDPEW-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.47
Rot. Bonds

About 2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one

2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one (PubChem CID 123341246) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one
PubChem CID123341246
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one
SMILESCN1CCC2C1C(=O)N2C
InChIInChI=1S/C7H12N2O/c1-8-4-3-5-6(8)7(10)9(5)2/h5-6H,3-4H2,1-2H3
InChIKeyWXICXPLSDHDPEW-UHFFFAOYSA-N
XLogP-0.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one?
The IUPAC name of 2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one (CID 123341246) is 2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for 2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for 2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one is CN1CCC2C1C(=O)N2C.
What is the InChIKey of 2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one?
The InChIKey is WXICXPLSDHDPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-8-4-3-5-6(8)7(10)9(5)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one?
2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one has a molecular weight of 140.19 g/mol, XLogP of -0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 123341246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).