4H-1,2-benzodiazepin-6-ol

C9H8N2O — CID 135771438

IUPAC4H-1,2-benzodiazepin-6-ol
SMILESOc1cccc2c1=CCC=NN=2
InChIInChI=1S/C9H8N2O/c12-9-5-1-4-8-7(9)3-2-6-10-11-8/h1,3-6,12H,2H2
InChIKeySHKDRGBXFHVTEM-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.18
Rot. Bonds

About 4H-1,2-benzodiazepin-6-ol

4H-1,2-benzodiazepin-6-ol (PubChem CID 135771438) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4H-1,2-benzodiazepin-6-ol.

Molecular Properties

Compound Name4H-1,2-benzodiazepin-6-ol
PubChem CID135771438
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4H-1,2-benzodiazepin-6-ol
SMILESOc1cccc2c1=CCC=NN=2
InChIInChI=1S/C9H8N2O/c12-9-5-1-4-8-7(9)3-2-6-10-11-8/h1,3-6,12H,2H2
InChIKeySHKDRGBXFHVTEM-UHFFFAOYSA-N
XLogP0.18
TPSA44.95 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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4H-1,2-benzodiazepin-7-ol
CID 90736922
6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol
CID 126733806
2H-1-benzazepin-6-ol
CID 136375733
2,4,5-Triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaen-8-ol
CID 136486584
2H-1,4-benzodiazepin-6-ol
CID 161610404
(4-Hydroxy-5-methanimidoylinden-2-ylidene)azanide
CID 136883633
2-Imino-5-methanimidoylinden-4-ol
CID 136883634
2-Imino-6-methanimidoylinden-5-ol
CID 136883638

Frequently Asked Questions

What is the IUPAC name of 4H-1,2-benzodiazepin-6-ol?
The IUPAC name of 4H-1,2-benzodiazepin-6-ol (CID 135771438) is 4H-1,2-benzodiazepin-6-ol.
What is the SMILES notation for 4H-1,2-benzodiazepin-6-ol?
The canonical SMILES for 4H-1,2-benzodiazepin-6-ol is Oc1cccc2c1=CCC=NN=2.
What is the InChIKey of 4H-1,2-benzodiazepin-6-ol?
The InChIKey is SHKDRGBXFHVTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-5-1-4-8-7(9)3-2-6-10-11-8/h1,3-6,12H,2H2.
What are the key properties of 4H-1,2-benzodiazepin-6-ol?
4H-1,2-benzodiazepin-6-ol has a molecular weight of 160.18 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,2-benzodiazepin-6-ol is sourced from PubChem (CID 135771438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).