6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one

C7H12N2O — CID 23559737

IUPAC6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one
SMILESCC1C=NCC(=O)NC1C
InChIInChI=1S/C7H12N2O/c1-5-3-8-4-7(10)9-6(5)2/h3,5-6H,4H2,1-2H3,(H,9,10)
InChIKeyLERFLWHRGUEVER-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.21
Rot. Bonds

About 6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one

6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one (PubChem CID 23559737) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one
PubChem CID23559737
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one
SMILESCC1C=NCC(=O)NC1C
InChIInChI=1S/C7H12N2O/c1-5-3-8-4-7(10)9-6(5)2/h3,5-6H,4H2,1-2H3,(H,9,10)
InChIKeyLERFLWHRGUEVER-UHFFFAOYSA-N
XLogP0.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,6,7-Tetrahydro-2h-1,4-diazepin-2-one
CID 58919847
5-methyl-2,5-dihydro-1H-pyrazin-6-one
CID 22097245
2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide
CID 58313310
(2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide
CID 88672576
5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one
CID 90702382
2-(ethylideneamino)-N-propan-2-ylacetamide
CID 123858528
6-Methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one
CID 142458893
N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide
CID 166078669
(2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide
CID 166078712
2-amino-N-(1-iminopropan-2-yl)acetamide
CID 166969611
N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide
CID 170766975
3-Ethyl-6-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one
CID 20527026

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one?
The IUPAC name of 6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one (CID 23559737) is 6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one.
What is the SMILES notation for 6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one?
The canonical SMILES for 6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one is CC1C=NCC(=O)NC1C.
What is the InChIKey of 6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one?
The InChIKey is LERFLWHRGUEVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-3-8-4-7(10)9-6(5)2/h3,5-6H,4H2,1-2H3,(H,9,10).
What are the key properties of 6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one?
6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one is sourced from PubChem (CID 23559737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).