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

C11H14N2O — CID 59848827

IUPAC1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCC1NCc2ccccc2N(C)C1=O
InChIInChI=1S/C11H14N2O/c1-8-11(14)13(2)10-6-4-3-5-9(10)7-12-8/h3-6,8,12H,7H2,1-2H3
InChIKeyIFUDBYHTZQLQGN-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.14
Rot. Bonds

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

1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one (PubChem CID 59848827) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
PubChem CID59848827
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCC1NCc2ccccc2N(C)C1=O
InChIInChI=1S/C11H14N2O/c1-8-11(14)13(2)10-6-4-3-5-9(10)7-12-8/h3-6,8,12H,7H2,1-2H3
InChIKeyIFUDBYHTZQLQGN-UHFFFAOYSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one (CID 59848827) is 1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one is CC1NCc2ccccc2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The InChIKey is IFUDBYHTZQLQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-11(14)13(2)10-6-4-3-5-9(10)7-12-8/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 59848827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).