3,4-dihydro-2H-1,5-benzodiazepin-7-ol

C9H10N2O — CID 136740545

IUPAC3,4-dihydro-2H-1,5-benzodiazepin-7-ol
SMILESOc1ccc2c(c1)=NCCCN=2
InChIInChI=1S/C9H10N2O/c12-7-2-3-8-9(6-7)11-5-1-4-10-8/h2-3,6,12H,1,4-5H2
InChIKeyCPFHEWXMTQOQNR-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.04
Rot. Bonds

About 3,4-dihydro-2H-1,5-benzodiazepin-7-ol

3,4-dihydro-2H-1,5-benzodiazepin-7-ol (PubChem CID 136740545) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,5-benzodiazepin-7-ol.

Molecular Properties

Compound Name3,4-dihydro-2H-1,5-benzodiazepin-7-ol
PubChem CID136740545
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3,4-dihydro-2H-1,5-benzodiazepin-7-ol
SMILESOc1ccc2c(c1)=NCCCN=2
InChIInChI=1S/C9H10N2O/c12-7-2-3-8-9(6-7)11-5-1-4-10-8/h2-3,6,12H,1,4-5H2
InChIKeyCPFHEWXMTQOQNR-UHFFFAOYSA-N
XLogP0.04
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,5-benzodiazepin-7-ol?
The IUPAC name of 3,4-dihydro-2H-1,5-benzodiazepin-7-ol (CID 136740545) is 3,4-dihydro-2H-1,5-benzodiazepin-7-ol.
What is the SMILES notation for 3,4-dihydro-2H-1,5-benzodiazepin-7-ol?
The canonical SMILES for 3,4-dihydro-2H-1,5-benzodiazepin-7-ol is Oc1ccc2c(c1)=NCCCN=2.
What is the InChIKey of 3,4-dihydro-2H-1,5-benzodiazepin-7-ol?
The InChIKey is CPFHEWXMTQOQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-7-2-3-8-9(6-7)11-5-1-4-10-8/h2-3,6,12H,1,4-5H2.
What are the key properties of 3,4-dihydro-2H-1,5-benzodiazepin-7-ol?
3,4-dihydro-2H-1,5-benzodiazepin-7-ol has a molecular weight of 162.19 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,5-benzodiazepin-7-ol is sourced from PubChem (CID 136740545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).