4-Methyl-1,4-diazepan-2-one

C6H12N2O — CID 12236517

IUPAC4-methyl-1,4-diazepan-2-one
SMILESCN1CCCNC(=O)C1
InChIInChI=1S/C6H12N2O/c1-8-4-2-3-7-6(9)5-8/h2-5H2,1H3,(H,7,9)
InChIKeyAIRVCSGEUIGZQP-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.30
Rot. Bonds

About 4-Methyl-1,4-diazepan-2-one

4-Methyl-1,4-diazepan-2-one (PubChem CID 12236517) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-Methyl-1,4-diazepan-2-one
PubChem CID12236517
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4-methyl-1,4-diazepan-2-one
SMILESCN1CCCNC(=O)C1
InChIInChI=1S/C6H12N2O/c1-8-4-2-3-7-6(9)5-8/h2-5H2,1H3,(H,7,9)
InChIKeyAIRVCSGEUIGZQP-UHFFFAOYSA-N
XLogP-0.30
TPSA32.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity114

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetylhomopiperazine
CID 4186202
1,4-Diazepan-5-one
CID 2737264
2-amino-N-propylacetamide
CID 4961985
2-(1,4-Diazepan-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one
CID 13057081
1,4-Diazepan-2-one
CID 13428532
3-Methyl-1,4-diazepan-2-one
CID 17808893
2-(1,4-diazepan-1-yl)-N-(propan-2-yl)acetamide
CID 13270103
2-(1,4-diazepan-1-yl)-N-methyl-N-pentylacetamide
CID 49853583
(S)-3-Methyl-1,4-diazepan-2-one
CID 15023857
1-(1,4-Diazepan-1-yl)-2-methylpropan-1-one
CID 16773383
1-(1,4-Diazepan-1-yl)propan-1-one
CID 16776172
4-Methyl-1,4-diazepan-5-one hydrochloride
CID 18506888

Frequently Asked Questions

What is the IUPAC name of 4-Methyl-1,4-diazepan-2-one?
The IUPAC name of 4-Methyl-1,4-diazepan-2-one (CID 12236517) is 4-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-Methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-Methyl-1,4-diazepan-2-one is CN1CCCNC(=O)C1.
What is the InChIKey of 4-Methyl-1,4-diazepan-2-one?
The InChIKey is AIRVCSGEUIGZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8-4-2-3-7-6(9)5-8/h2-5H2,1H3,(H,7,9).
What are the key properties of 4-Methyl-1,4-diazepan-2-one?
4-Methyl-1,4-diazepan-2-one has a molecular weight of 128.17 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methyl-1,4-diazepan-2-one is sourced from PubChem (CID 12236517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).