3H-1,4-benzodiazepin-8-ol

C9H8N2O — CID 136510488

IUPAC3H-1,4-benzodiazepin-8-ol
SMILESOc1ccc2c(c1)N=CCN=C2
InChIInChI=1S/C9H8N2O/c12-8-2-1-7-6-10-3-4-11-9(7)5-8/h1-2,4-6,12H,3H2
InChIKeyRTVFTURSIYDTBA-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.53
Rot. Bonds

About 3H-1,4-benzodiazepin-8-ol

3H-1,4-benzodiazepin-8-ol (PubChem CID 136510488) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3H-1,4-benzodiazepin-8-ol.

Molecular Properties

Compound Name3H-1,4-benzodiazepin-8-ol
PubChem CID136510488
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3H-1,4-benzodiazepin-8-ol
SMILESOc1ccc2c(c1)N=CCN=C2
InChIInChI=1S/C9H8N2O/c12-8-2-1-7-6-10-3-4-11-9(7)5-8/h1-2,4-6,12H,3H2
InChIKeyRTVFTURSIYDTBA-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-1,4-benzodiazepin-8-ol?
The IUPAC name of 3H-1,4-benzodiazepin-8-ol (CID 136510488) is 3H-1,4-benzodiazepin-8-ol.
What is the SMILES notation for 3H-1,4-benzodiazepin-8-ol?
The canonical SMILES for 3H-1,4-benzodiazepin-8-ol is Oc1ccc2c(c1)N=CCN=C2.
What is the InChIKey of 3H-1,4-benzodiazepin-8-ol?
The InChIKey is RTVFTURSIYDTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-8-2-1-7-6-10-3-4-11-9(7)5-8/h1-2,4-6,12H,3H2.
What are the key properties of 3H-1,4-benzodiazepin-8-ol?
3H-1,4-benzodiazepin-8-ol has a molecular weight of 160.18 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-1,4-benzodiazepin-8-ol is sourced from PubChem (CID 136510488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).