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

C11H14N2O — CID 58984785

IUPAC(2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one
SMILESC[C@@H]1Nc2ccccc2CN(C)C1=O
InChIInChI=1S/C11H14N2O/c1-8-11(14)13(2)7-9-5-3-4-6-10(9)12-8/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyQAZZSCPBEYSMLW-QMMMGPOBSA-N
MW190.25 g/mol
LogP1.46
Rot. Bonds

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

(2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one (PubChem CID 58984785) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one
PubChem CID58984785
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one
SMILESC[C@@H]1Nc2ccccc2CN(C)C1=O
InChIInChI=1S/C11H14N2O/c1-8-11(14)13(2)7-9-5-3-4-6-10(9)12-8/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyQAZZSCPBEYSMLW-QMMMGPOBSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one?
The IUPAC name of (2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one (CID 58984785) is (2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one.
What is the SMILES notation for (2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one?
The canonical SMILES for (2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one is C[C@@H]1Nc2ccccc2CN(C)C1=O.
What is the InChIKey of (2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one?
The InChIKey is QAZZSCPBEYSMLW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-11(14)13(2)7-9-5-3-4-6-10(9)12-8/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one?
(2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one has a molecular weight of 190.25 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one is sourced from PubChem (CID 58984785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).