4,5-dimethyl-1,3-diazepan-2-one

C7H14N2O — CID 144648206

IUPAC4,5-dimethyl-1,3-diazepan-2-one
SMILESCC1CCNC(=O)NC1C
InChIInChI=1S/C7H14N2O/c1-5-3-4-8-7(10)9-6(5)2/h5-6H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyUBHHQMCQEFDMCJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.71
Rot. Bonds

About 4,5-dimethyl-1,3-diazepan-2-one

4,5-dimethyl-1,3-diazepan-2-one (PubChem CID 144648206) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-diazepan-2-one.

Molecular Properties

Compound Name4,5-dimethyl-1,3-diazepan-2-one
PubChem CID144648206
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4,5-dimethyl-1,3-diazepan-2-one
SMILESCC1CCNC(=O)NC1C
InChIInChI=1S/C7H14N2O/c1-5-3-4-8-7(10)9-6(5)2/h5-6H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyUBHHQMCQEFDMCJ-UHFFFAOYSA-N
XLogP0.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4S,4aS,8aS)-4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione
CID 92508884
4-(trifluoromethyl)-1,3-diazinan-2-one
CID 57031146
(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane
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2,3-dimethylpyrrolidine;ethane
CID 90972313
N-(2-oxo-1,3-diazinan-4-yl)acetamide
CID 45051553
(4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol
CID 159095548
imidazolidin-2-one;methanol
CID 174820792
4-methoxy-5-methyl-1,3-diazinan-2-one
CID 55287477
potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate
CID 170579075
(5S)-5-methylazepan-2-one
CID 51419001
3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886
4-methyl-3-[(3-methylcyclobutyl)amino]piperidin-2-one
CID 130666250

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-diazepan-2-one?
The IUPAC name of 4,5-dimethyl-1,3-diazepan-2-one (CID 144648206) is 4,5-dimethyl-1,3-diazepan-2-one.
What is the SMILES notation for 4,5-dimethyl-1,3-diazepan-2-one?
The canonical SMILES for 4,5-dimethyl-1,3-diazepan-2-one is CC1CCNC(=O)NC1C.
What is the InChIKey of 4,5-dimethyl-1,3-diazepan-2-one?
The InChIKey is UBHHQMCQEFDMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-3-4-8-7(10)9-6(5)2/h5-6H,3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 4,5-dimethyl-1,3-diazepan-2-one?
4,5-dimethyl-1,3-diazepan-2-one has a molecular weight of 142.20 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-diazepan-2-one is sourced from PubChem (CID 144648206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).