2,3-dihydro-1,5-benzodiazepin-4-one

C9H8N2O — CID 91516001

IUPAC2,3-dihydro-1,5-benzodiazepin-4-one
SMILESO=C1CCN=c2ccccc2=N1
InChIInChI=1S/C9H8N2O/c12-9-5-6-10-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChIKeyBFIUJUVNNFZDSN-UHFFFAOYSA-N
MW160.18 g/mol
LogP-0.14
Rot. Bonds

About 2,3-dihydro-1,5-benzodiazepin-4-one

2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 91516001) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID91516001
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2,3-dihydro-1,5-benzodiazepin-4-one
SMILESO=C1CCN=c2ccccc2=N1
InChIInChI=1S/C9H8N2O/c12-9-5-6-10-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChIKeyBFIUJUVNNFZDSN-UHFFFAOYSA-N
XLogP-0.14
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 2,3-dihydro-1,5-benzodiazepin-4-one (CID 91516001) is 2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 2,3-dihydro-1,5-benzodiazepin-4-one is O=C1CCN=c2ccccc2=N1.
What is the InChIKey of 2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is BFIUJUVNNFZDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-5-6-10-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2.
What are the key properties of 2,3-dihydro-1,5-benzodiazepin-4-one?
2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 160.18 g/mol, XLogP of -0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 91516001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).