2,6-dimethyldiazepan-3-one

C7H14N2O — CID 156517271

IUPAC2,6-dimethyldiazepan-3-one
SMILESCC1CCC(=O)N(C)NC1
InChIInChI=1S/C7H14N2O/c1-6-3-4-7(10)9(2)8-5-6/h6,8H,3-5H2,1-2H3
InChIKeyKSOCZRLSSRYWAA-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.38
Rot. Bonds

About 2,6-dimethyldiazepan-3-one

2,6-dimethyldiazepan-3-one (PubChem CID 156517271) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,6-dimethyldiazepan-3-one.

Molecular Properties

Compound Name2,6-dimethyldiazepan-3-one
PubChem CID156517271
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2,6-dimethyldiazepan-3-one
SMILESCC1CCC(=O)N(C)NC1
InChIInChI=1S/C7H14N2O/c1-6-3-4-7(10)9(2)8-5-6/h6,8H,3-5H2,1-2H3
InChIKeyKSOCZRLSSRYWAA-UHFFFAOYSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyldiazepan-3-one?
The IUPAC name of 2,6-dimethyldiazepan-3-one (CID 156517271) is 2,6-dimethyldiazepan-3-one.
What is the SMILES notation for 2,6-dimethyldiazepan-3-one?
The canonical SMILES for 2,6-dimethyldiazepan-3-one is CC1CCC(=O)N(C)NC1.
What is the InChIKey of 2,6-dimethyldiazepan-3-one?
The InChIKey is KSOCZRLSSRYWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6-3-4-7(10)9(2)8-5-6/h6,8H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethyldiazepan-3-one?
2,6-dimethyldiazepan-3-one has a molecular weight of 142.20 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyldiazepan-3-one is sourced from PubChem (CID 156517271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).