7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one

C6H10N2O — CID 55299289

IUPAC7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one
SMILESCC1=CC(=O)NCCN1
InChIInChI=1S/C6H10N2O/c1-5-4-6(9)8-3-2-7-5/h4,7H,2-3H2,1H3,(H,8,9)
InChIKeyGMPJHJMEJDDSCO-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.39
Rot. Bonds

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

7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one (PubChem CID 55299289) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one.

Molecular Properties

Compound Name7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one
PubChem CID55299289
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one
SMILESCC1=CC(=O)NCCN1
InChIInChI=1S/C6H10N2O/c1-5-4-6(9)8-3-2-7-5/h4,7H,2-3H2,1H3,(H,8,9)
InChIKeyGMPJHJMEJDDSCO-UHFFFAOYSA-N
XLogP-0.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one?
The IUPAC name of 7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one (CID 55299289) is 7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one.
What is the SMILES notation for 7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one?
The canonical SMILES for 7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one is CC1=CC(=O)NCCN1.
What is the InChIKey of 7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one?
The InChIKey is GMPJHJMEJDDSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-4-6(9)8-3-2-7-5/h4,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one?
7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one has a molecular weight of 126.16 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one is sourced from PubChem (CID 55299289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).