2,3-dihydro-2,3-benzodiazepin-1-one

C9H8N2O — CID 175047183

IUPAC2,3-dihydro-2,3-benzodiazepin-1-one
SMILESO=C1NNC=Cc2ccccc21
InChIInChI=1S/C9H8N2O/c12-9-8-4-2-1-3-7(8)5-6-10-11-9/h1-6,10H,(H,11,12)
InChIKeyPVOMGLBKMKOGFX-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.91
Rot. Bonds

About 2,3-dihydro-2,3-benzodiazepin-1-one

2,3-dihydro-2,3-benzodiazepin-1-one (PubChem CID 175047183) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2,3-dihydro-2,3-benzodiazepin-1-one.

Molecular Properties

Compound Name2,3-dihydro-2,3-benzodiazepin-1-one
PubChem CID175047183
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2,3-dihydro-2,3-benzodiazepin-1-one
SMILESO=C1NNC=Cc2ccccc21
InChIInChI=1S/C9H8N2O/c12-9-8-4-2-1-3-7(8)5-6-10-11-9/h1-6,10H,(H,11,12)
InChIKeyPVOMGLBKMKOGFX-UHFFFAOYSA-N
XLogP0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-2,3-benzodiazepin-1-one?
The IUPAC name of 2,3-dihydro-2,3-benzodiazepin-1-one (CID 175047183) is 2,3-dihydro-2,3-benzodiazepin-1-one.
What is the SMILES notation for 2,3-dihydro-2,3-benzodiazepin-1-one?
The canonical SMILES for 2,3-dihydro-2,3-benzodiazepin-1-one is O=C1NNC=Cc2ccccc21.
What is the InChIKey of 2,3-dihydro-2,3-benzodiazepin-1-one?
The InChIKey is PVOMGLBKMKOGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-8-4-2-1-3-7(8)5-6-10-11-9/h1-6,10H,(H,11,12).
What are the key properties of 2,3-dihydro-2,3-benzodiazepin-1-one?
2,3-dihydro-2,3-benzodiazepin-1-one has a molecular weight of 160.18 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-2,3-benzodiazepin-1-one is sourced from PubChem (CID 175047183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).