1,3-dimethyl-1,3-diazepan-2-one

C7H14N2O — CID 27949

IUPAC1,3-dimethyl-1,3-diazepan-2-one
SMILESCN1CCCCN(C)C1=O
InChIInChI=1S/C7H14N2O/c1-8-5-3-4-6-9(2)7(8)10/h3-6H2,1-2H3
InChIKeyBSVHATKBZZYYIC-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.76
Rot. Bonds

About 1,3-dimethyl-1,3-diazepan-2-one

1,3-dimethyl-1,3-diazepan-2-one (PubChem CID 27949) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-diazepan-2-one.

Molecular Properties

Compound Name1,3-dimethyl-1,3-diazepan-2-one
PubChem CID27949
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1,3-dimethyl-1,3-diazepan-2-one
SMILESCN1CCCCN(C)C1=O
InChIInChI=1S/C7H14N2O/c1-8-5-3-4-6-9(2)7(8)10/h3-6H2,1-2H3
InChIKeyBSVHATKBZZYYIC-UHFFFAOYSA-N
XLogP0.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-diazepan-2-one?
The IUPAC name of 1,3-dimethyl-1,3-diazepan-2-one (CID 27949) is 1,3-dimethyl-1,3-diazepan-2-one.
What is the SMILES notation for 1,3-dimethyl-1,3-diazepan-2-one?
The canonical SMILES for 1,3-dimethyl-1,3-diazepan-2-one is CN1CCCCN(C)C1=O.
What is the InChIKey of 1,3-dimethyl-1,3-diazepan-2-one?
The InChIKey is BSVHATKBZZYYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-8-5-3-4-6-9(2)7(8)10/h3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-1,3-diazepan-2-one?
1,3-dimethyl-1,3-diazepan-2-one has a molecular weight of 142.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-diazepan-2-one is sourced from PubChem (CID 27949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).