4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one

C11H12N2O — CID 589485

IUPAC4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCC1=Nc2cc(C)ccc2NC(=O)C1
InChIInChI=1S/C11H12N2O/c1-7-3-4-9-10(5-7)12-8(2)6-11(14)13-9/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyFIHSNWWILJRGHT-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.43
Rot. Bonds

About 4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one

4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 589485) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID589485
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCC1=Nc2cc(C)ccc2NC(=O)C1
InChIInChI=1S/C11H12N2O/c1-7-3-4-9-10(5-7)12-8(2)6-11(14)13-9/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyFIHSNWWILJRGHT-UHFFFAOYSA-N
XLogP2.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one (CID 589485) is 4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one is CC1=Nc2cc(C)ccc2NC(=O)C1.
What is the InChIKey of 4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is FIHSNWWILJRGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-3-4-9-10(5-7)12-8(2)6-11(14)13-9/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one?
4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 589485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).