4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one

C17H14N2O — CID 621552

IUPAC4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(C=Cc2ccccc2)=Nc2ccccc2N1
InChIInChI=1S/C17H14N2O/c20-17-12-14(11-10-13-6-2-1-3-7-13)18-15-8-4-5-9-16(15)19-17/h1-11H,12H2,(H,19,20)
InChIKeyYXOTZFPASAWCAO-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.81
Rot. Bonds2

About 4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one

4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 621552) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID621552
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(C=Cc2ccccc2)=Nc2ccccc2N1
InChIInChI=1S/C17H14N2O/c20-17-12-14(11-10-13-6-2-1-3-7-13)18-15-8-4-5-9-16(15)19-17/h1-11H,12H2,(H,19,20)
InChIKeyYXOTZFPASAWCAO-UHFFFAOYSA-N
XLogP3.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one (CID 621552) is 4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is O=C1CC(C=Cc2ccccc2)=Nc2ccccc2N1.
What is the InChIKey of 4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is YXOTZFPASAWCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-12-14(11-10-13-6-2-1-3-7-13)18-15-8-4-5-9-16(15)19-17/h1-11H,12H2,(H,19,20).
What are the key properties of 4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 262.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 621552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).