3,3-dimethyl-1H-1,4-diazepin-2-one

C7H10N2O — CID 146529911

IUPAC3,3-dimethyl-1H-1,4-diazepin-2-one
SMILESCC1(C)N=CC=CNC1=O
InChIInChI=1S/C7H10N2O/c1-7(2)6(10)8-4-3-5-9-7/h3-5H,1-2H3,(H,8,10)
InChIKeyNVAKHDWZLXGKSG-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.48
Rot. Bonds

About 3,3-dimethyl-1H-1,4-diazepin-2-one

3,3-dimethyl-1H-1,4-diazepin-2-one (PubChem CID 146529911) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3,3-dimethyl-1H-1,4-diazepin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1H-1,4-diazepin-2-one
PubChem CID146529911
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3,3-dimethyl-1H-1,4-diazepin-2-one
SMILESCC1(C)N=CC=CNC1=O
InChIInChI=1S/C7H10N2O/c1-7(2)6(10)8-4-3-5-9-7/h3-5H,1-2H3,(H,8,10)
InChIKeyNVAKHDWZLXGKSG-UHFFFAOYSA-N
XLogP0.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1H-1,4-diazepin-2-one?
The IUPAC name of 3,3-dimethyl-1H-1,4-diazepin-2-one (CID 146529911) is 3,3-dimethyl-1H-1,4-diazepin-2-one.
What is the SMILES notation for 3,3-dimethyl-1H-1,4-diazepin-2-one?
The canonical SMILES for 3,3-dimethyl-1H-1,4-diazepin-2-one is CC1(C)N=CC=CNC1=O.
What is the InChIKey of 3,3-dimethyl-1H-1,4-diazepin-2-one?
The InChIKey is NVAKHDWZLXGKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-7(2)6(10)8-4-3-5-9-7/h3-5H,1-2H3,(H,8,10).
What are the key properties of 3,3-dimethyl-1H-1,4-diazepin-2-one?
3,3-dimethyl-1H-1,4-diazepin-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1H-1,4-diazepin-2-one is sourced from PubChem (CID 146529911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).