4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one

C6H10N2O — CID 10749190

IUPAC4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one
SMILESCN1CCNC=CC1=O
InChIInChI=1S/C6H10N2O/c1-8-5-4-7-3-2-6(8)9/h2-3,7H,4-5H2,1H3
InChIKeyMDELWJYGKDKADY-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.44
Rot. Bonds

About 4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one

4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one (PubChem CID 10749190) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one
PubChem CID10749190
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one
SMILESCN1CCNC=CC1=O
InChIInChI=1S/C6H10N2O/c1-8-5-4-7-3-2-6(8)9/h2-3,7H,4-5H2,1H3
InChIKeyMDELWJYGKDKADY-UHFFFAOYSA-N
XLogP-0.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one?
The IUPAC name of 4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one (CID 10749190) is 4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one.
What is the SMILES notation for 4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one?
The canonical SMILES for 4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one is CN1CCNC=CC1=O.
What is the InChIKey of 4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one?
The InChIKey is MDELWJYGKDKADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-8-5-4-7-3-2-6(8)9/h2-3,7H,4-5H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one?
4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one has a molecular weight of 126.16 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one is sourced from PubChem (CID 10749190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).