4,7-dimethyl-1,5-benzodiazepin-2-one

C11H10N2O — CID 121218111

IUPAC4,7-dimethyl-1,5-benzodiazepin-2-one
SMILESCc1ccc2nc(=O)cc(C)nc2c1
InChIInChI=1S/C11H10N2O/c1-7-3-4-9-10(5-7)12-8(2)6-11(14)13-9/h3-6H,1-2H3
InChIKeyYZWOILBIVDNNCD-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.61
Rot. Bonds

About 4,7-dimethyl-1,5-benzodiazepin-2-one

4,7-dimethyl-1,5-benzodiazepin-2-one (PubChem CID 121218111) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4,7-dimethyl-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4,7-dimethyl-1,5-benzodiazepin-2-one
PubChem CID121218111
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4,7-dimethyl-1,5-benzodiazepin-2-one
SMILESCc1ccc2nc(=O)cc(C)nc2c1
InChIInChI=1S/C11H10N2O/c1-7-3-4-9-10(5-7)12-8(2)6-11(14)13-9/h3-6H,1-2H3
InChIKeyYZWOILBIVDNNCD-UHFFFAOYSA-N
XLogP1.61
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1,5-benzodiazepin-2-one?
The IUPAC name of 4,7-dimethyl-1,5-benzodiazepin-2-one (CID 121218111) is 4,7-dimethyl-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4,7-dimethyl-1,5-benzodiazepin-2-one?
The canonical SMILES for 4,7-dimethyl-1,5-benzodiazepin-2-one is Cc1ccc2nc(=O)cc(C)nc2c1.
What is the InChIKey of 4,7-dimethyl-1,5-benzodiazepin-2-one?
The InChIKey is YZWOILBIVDNNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-7-3-4-9-10(5-7)12-8(2)6-11(14)13-9/h3-6H,1-2H3.
What are the key properties of 4,7-dimethyl-1,5-benzodiazepin-2-one?
4,7-dimethyl-1,5-benzodiazepin-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1,5-benzodiazepin-2-one is sourced from PubChem (CID 121218111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).