7,9-dihydro-1,2-benzodiazepin-8-one

C9H8N2O — CID 67798384

IUPAC7,9-dihydro-1,2-benzodiazepin-8-one
SMILESO=C1CC=C2C=CC=NN=C2C1
InChIInChI=1S/C9H8N2O/c12-8-4-3-7-2-1-5-10-11-9(7)6-8/h1-3,5H,4,6H2
InChIKeyASQGGHVUUDIOJQ-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.27
Rot. Bonds

About 7,9-dihydro-1,2-benzodiazepin-8-one

7,9-dihydro-1,2-benzodiazepin-8-one (PubChem CID 67798384) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 7,9-dihydro-1,2-benzodiazepin-8-one.

Molecular Properties

Compound Name7,9-dihydro-1,2-benzodiazepin-8-one
PubChem CID67798384
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name7,9-dihydro-1,2-benzodiazepin-8-one
SMILESO=C1CC=C2C=CC=NN=C2C1
InChIInChI=1S/C9H8N2O/c12-8-4-3-7-2-1-5-10-11-9(7)6-8/h1-3,5H,4,6H2
InChIKeyASQGGHVUUDIOJQ-UHFFFAOYSA-N
XLogP1.27
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,9-dihydro-1,2-benzodiazepin-8-one?
The IUPAC name of 7,9-dihydro-1,2-benzodiazepin-8-one (CID 67798384) is 7,9-dihydro-1,2-benzodiazepin-8-one.
What is the SMILES notation for 7,9-dihydro-1,2-benzodiazepin-8-one?
The canonical SMILES for 7,9-dihydro-1,2-benzodiazepin-8-one is O=C1CC=C2C=CC=NN=C2C1.
What is the InChIKey of 7,9-dihydro-1,2-benzodiazepin-8-one?
The InChIKey is ASQGGHVUUDIOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-8-4-3-7-2-1-5-10-11-9(7)6-8/h1-3,5H,4,6H2.
What are the key properties of 7,9-dihydro-1,2-benzodiazepin-8-one?
7,9-dihydro-1,2-benzodiazepin-8-one has a molecular weight of 160.18 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dihydro-1,2-benzodiazepin-8-one is sourced from PubChem (CID 67798384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).