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

C13H10N2O2 — CID 644707

IUPAC4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2ccco2)=Nc2ccccc2N1
InChIInChI=1S/C13H10N2O2/c16-13-8-11(12-6-3-7-17-12)14-9-4-1-2-5-10(9)15-13/h1-7H,8H2,(H,15,16)
InChIKeyZOJLKJWDGDZCLL-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.74
Rot. Bonds1

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

4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 644707) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID644707
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2ccco2)=Nc2ccccc2N1
InChIInChI=1S/C13H10N2O2/c16-13-8-11(12-6-3-7-17-12)14-9-4-1-2-5-10(9)15-13/h1-7H,8H2,(H,15,16)
InChIKeyZOJLKJWDGDZCLL-UHFFFAOYSA-N
XLogP2.74
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one (CID 644707) is 4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one is O=C1CC(c2ccco2)=Nc2ccccc2N1.
What is the InChIKey of 4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is ZOJLKJWDGDZCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13-8-11(12-6-3-7-17-12)14-9-4-1-2-5-10(9)15-13/h1-7H,8H2,(H,15,16).
What are the key properties of 4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one?
4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 226.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 644707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).