(2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one

C10H10N2O — CID 121232372

IUPAC(2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESC[C@@H]1CC(=O)N=c2ccccc2=N1
InChIInChI=1S/C10H10N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyOZXRREDGQPIDAW-SSDOTTSWSA-N
MW174.20 g/mol
LogP0.24
Rot. Bonds

About (2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one

(2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 121232372) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name(2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID121232372
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESC[C@@H]1CC(=O)N=c2ccccc2=N1
InChIInChI=1S/C10H10N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyOZXRREDGQPIDAW-SSDOTTSWSA-N
XLogP0.24
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of (2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one (CID 121232372) is (2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for (2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for (2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one is C[C@@H]1CC(=O)N=c2ccccc2=N1.
What is the InChIKey of (2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is OZXRREDGQPIDAW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
(2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 174.20 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 121232372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).