3-methyl-1H-1,3-diazepin-2-one

C6H8N2O — CID 67472845

IUPAC3-methyl-1H-1,3-diazepin-2-one
SMILESCN1C=CC=CNC1=O
InChIInChI=1S/C6H8N2O/c1-8-5-3-2-4-7-6(8)9/h2-5H,1H3,(H,7,9)
InChIKeyFMVMWRAJBYIPFO-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.67
Rot. Bonds

About 3-methyl-1H-1,3-diazepin-2-one

3-methyl-1H-1,3-diazepin-2-one (PubChem CID 67472845) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-methyl-1H-1,3-diazepin-2-one.

Molecular Properties

Compound Name3-methyl-1H-1,3-diazepin-2-one
PubChem CID67472845
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name3-methyl-1H-1,3-diazepin-2-one
SMILESCN1C=CC=CNC1=O
InChIInChI=1S/C6H8N2O/c1-8-5-3-2-4-7-6(8)9/h2-5H,1H3,(H,7,9)
InChIKeyFMVMWRAJBYIPFO-UHFFFAOYSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dimethyl-3-[(E)-prop-1-enyl]urea
CID 11819097
1H-Azepine-1-carboxamide
CID 21247429
2,3-Dihydro-1h-1,3-diazepin-2-one
CID 21579051
3-Butenyl-harnstoff
CID 53406735
Propenyl urea
CID 54130800
1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea
CID 90473859
N-methylcarbamoylpyridine
CID 129798221
1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea
CID 135276370
3-[(E)-but-1-enyl]-1,1-dimethylurea
CID 10240909
[(Z)-prop-1-enyl]urea
CID 11263474
1-Ethenyl-1,3-dimethylurea
CID 18417869
[(E)-prop-1-enyl]urea
CID 18791946

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-1,3-diazepin-2-one?
The IUPAC name of 3-methyl-1H-1,3-diazepin-2-one (CID 67472845) is 3-methyl-1H-1,3-diazepin-2-one.
What is the SMILES notation for 3-methyl-1H-1,3-diazepin-2-one?
The canonical SMILES for 3-methyl-1H-1,3-diazepin-2-one is CN1C=CC=CNC1=O.
What is the InChIKey of 3-methyl-1H-1,3-diazepin-2-one?
The InChIKey is FMVMWRAJBYIPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-8-5-3-2-4-7-6(8)9/h2-5H,1H3,(H,7,9).
What are the key properties of 3-methyl-1H-1,3-diazepin-2-one?
3-methyl-1H-1,3-diazepin-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-1,3-diazepin-2-one is sourced from PubChem (CID 67472845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).