4-methyl-1,4-diazepan-5-one

C6H12N2O — CID 18506889

IUPAC4-methyl-1,4-diazepan-5-one
SMILESCN1CCNCCC1=O
InChIInChI=1S/C6H12N2O/c1-8-5-4-7-3-2-6(8)9/h7H,2-5H2,1H3
InChIKeyAFXBHHCUPRNJEL-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.56
Rot. Bonds

About 4-methyl-1,4-diazepan-5-one

4-methyl-1,4-diazepan-5-one (PubChem CID 18506889) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-methyl-1,4-diazepan-5-one
PubChem CID18506889
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4-methyl-1,4-diazepan-5-one
SMILESCN1CCNCCC1=O
InChIInChI=1S/C6H12N2O/c1-8-5-4-7-3-2-6(8)9/h7H,2-5H2,1H3
InChIKeyAFXBHHCUPRNJEL-UHFFFAOYSA-N
XLogP-0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.56
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
Propanamide, N-(2-(dimethylamino)ethyl)-
CID 2394863
N-(2-Aminoethyl)propanamide
CID 4551317
1,4-Diazepan-2-one
CID 13428532
3-Methyl-1,4-diazepan-2-one
CID 17808893
Hexahydro-7-methyl-5H-1,4-diazepin-5-one
CID 45117250
4-Methyl-1,4-diazepan-2-one
CID 12236517
(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-5-one?
The IUPAC name of 4-methyl-1,4-diazepan-5-one (CID 18506889) is 4-methyl-1,4-diazepan-5-one.
What is the SMILES notation for 4-methyl-1,4-diazepan-5-one?
The canonical SMILES for 4-methyl-1,4-diazepan-5-one is CN1CCNCCC1=O.
What is the InChIKey of 4-methyl-1,4-diazepan-5-one?
The InChIKey is AFXBHHCUPRNJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8-5-4-7-3-2-6(8)9/h7H,2-5H2,1H3.
What are the key properties of 4-methyl-1,4-diazepan-5-one?
4-methyl-1,4-diazepan-5-one has a molecular weight of 128.17 g/mol, XLogP of -0.56, 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-5-one is sourced from PubChem (CID 18506889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).