4-hydroxy-1,4-benzodiazepine

C9H8N2O — CID 21327975

IUPAC4-hydroxy-1,4-benzodiazepine
SMILESON1C=CN=c2ccccc2=C1
InChIInChI=1S/C9H8N2O/c12-11-6-5-10-9-4-2-1-3-8(9)7-11/h1-7,12H
InChIKeyAAIUDRBUXYUHNQ-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.22
Rot. Bonds

About 4-hydroxy-1,4-benzodiazepine

4-hydroxy-1,4-benzodiazepine (PubChem CID 21327975) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-hydroxy-1,4-benzodiazepine.

Molecular Properties

Compound Name4-hydroxy-1,4-benzodiazepine
PubChem CID21327975
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-hydroxy-1,4-benzodiazepine
SMILESON1C=CN=c2ccccc2=C1
InChIInChI=1S/C9H8N2O/c12-11-6-5-10-9-4-2-1-3-8(9)7-11/h1-7,12H
InChIKeyAAIUDRBUXYUHNQ-UHFFFAOYSA-N
XLogP0.22
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,4-benzodiazepine?
The IUPAC name of 4-hydroxy-1,4-benzodiazepine (CID 21327975) is 4-hydroxy-1,4-benzodiazepine.
What is the SMILES notation for 4-hydroxy-1,4-benzodiazepine?
The canonical SMILES for 4-hydroxy-1,4-benzodiazepine is ON1C=CN=c2ccccc2=C1.
What is the InChIKey of 4-hydroxy-1,4-benzodiazepine?
The InChIKey is AAIUDRBUXYUHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-11-6-5-10-9-4-2-1-3-8(9)7-11/h1-7,12H.
What are the key properties of 4-hydroxy-1,4-benzodiazepine?
4-hydroxy-1,4-benzodiazepine has a molecular weight of 160.18 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,4-benzodiazepine is sourced from PubChem (CID 21327975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).