2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one

C7H10N2O — CID 163655884

IUPAC2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one
SMILESC=C1C=CCN(C)NC1=O
InChIInChI=1S/C7H10N2O/c1-6-4-3-5-9(2)8-7(6)10/h3-4H,1,5H2,2H3,(H,8,10)
InChIKeyIQEDMYKQFJNGME-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.08
Rot. Bonds

About 2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one

2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one (PubChem CID 163655884) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one.

Molecular Properties

Compound Name2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one
PubChem CID163655884
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one
SMILESC=C1C=CCN(C)NC1=O
InChIInChI=1S/C7H10N2O/c1-6-4-3-5-9(2)8-7(6)10/h3-4H,1,5H2,2H3,(H,8,10)
InChIKeyIQEDMYKQFJNGME-UHFFFAOYSA-N
XLogP0.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one?
The IUPAC name of 2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one (CID 163655884) is 2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one.
What is the SMILES notation for 2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one?
The canonical SMILES for 2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one is C=C1C=CCN(C)NC1=O.
What is the InChIKey of 2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one?
The InChIKey is IQEDMYKQFJNGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-6-4-3-5-9(2)8-7(6)10/h3-4H,1,5H2,2H3,(H,8,10).
What are the key properties of 2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one?
2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one has a molecular weight of 138.17 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylidene-1,3-dihydrodiazepin-7-one is sourced from PubChem (CID 163655884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).