4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one

C7H12N2O — CID 163770567

IUPAC4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one
SMILESCN1CC(=O)N2C1C2(C)C
InChIInChI=1S/C7H12N2O/c1-7(2)6-8(3)4-5(10)9(6)7/h6H,4H2,1-3H3
InChIKeyMGAXZTUHBARYLC-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.12
Rot. Bonds

About 4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one

4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one (PubChem CID 163770567) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one
PubChem CID163770567
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one
SMILESCN1CC(=O)N2C1C2(C)C
InChIInChI=1S/C7H12N2O/c1-7(2)6-8(3)4-5(10)9(6)7/h6H,4H2,1-3H3
InChIKeyMGAXZTUHBARYLC-UHFFFAOYSA-N
XLogP-0.12
TPSA23.32 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 ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one (CID 163770567) is 4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one is CN1CC(=O)N2C1C2(C)C.
What is the InChIKey of 4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one?
The InChIKey is MGAXZTUHBARYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(2)6-8(3)4-5(10)9(6)7/h6H,4H2,1-3H3.
What are the key properties of 4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one?
4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one has a molecular weight of 140.19 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-1,4-diazabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 163770567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).