6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one

C7H12N2O — CID 118586824

IUPAC6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one
SMILESCC1=C(C)NC(=O)NCC1
InChIInChI=1S/C7H12N2O/c1-5-3-4-8-7(10)9-6(5)2/h3-4H2,1-2H3,(H2,8,9,10)
InChIKeyULCGFSWXOYWJBB-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.98
Rot. Bonds

About 6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one

6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one (PubChem CID 118586824) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one
PubChem CID118586824
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one
SMILESCC1=C(C)NC(=O)NCC1
InChIInChI=1S/C7H12N2O/c1-5-3-4-8-7(10)9-6(5)2/h3-4H2,1-2H3,(H2,8,9,10)
InChIKeyULCGFSWXOYWJBB-UHFFFAOYSA-N
XLogP0.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-di(propan-2-yl)-3,4-dihydro-1H-pyrimidin-2-one
CID 60071328
5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 89820402
1-Propan-2-yl-7-propan-2-ylidene-1,3-diazepan-2-one
CID 90244249
6,7-Di(propan-2-yl)-1,3,4,5-tetrahydro-1,3-diazepin-2-one
CID 118583756
4-Ethyl-3,5-dimethyl-1,6-dihydropyrimidin-2-one
CID 121276945
6,7-dimethyl-2,3,4,5-tetrahydro-1H-1,3-diazepine
CID 121388637
1,3-Dimethyl-1-(4-methylhex-3-en-3-yl)urea
CID 123545126
7-Ethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one
CID 164015137
6-butan-2-yl-5-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 170954220
4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one
CID 173379083
5,6-diethyl-3,4-dihydro-1H-pyrimidin-2-one
CID 174307457
5-ethyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one
CID 174793771

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one?
The IUPAC name of 6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one (CID 118586824) is 6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one.
What is the SMILES notation for 6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one?
The canonical SMILES for 6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one is CC1=C(C)NC(=O)NCC1.
What is the InChIKey of 6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one?
The InChIKey is ULCGFSWXOYWJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-3-4-8-7(10)9-6(5)2/h3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one?
6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one is sourced from PubChem (CID 118586824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).