7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C10H11BrN2O2 — CID 123380087

IUPAC7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCN1CC(=O)Nc2ccc(Br)cc2C1O
InChIInChI=1S/C10H11BrN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4,10,15H,5H2,1H3,(H,12,14)
InChIKeyKHTCSAKVKDGBPY-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.32
Rot. Bonds

About 7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 123380087) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID123380087
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCN1CC(=O)Nc2ccc(Br)cc2C1O
InChIInChI=1S/C10H11BrN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4,10,15H,5H2,1H3,(H,12,14)
InChIKeyKHTCSAKVKDGBPY-UHFFFAOYSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 123380087) is 7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is CN1CC(=O)Nc2ccc(Br)cc2C1O.
What is the InChIKey of 7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is KHTCSAKVKDGBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4,10,15H,5H2,1H3,(H,12,14).
What are the key properties of 7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 271.11 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 123380087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).