(2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile

C16H8N2O4 — CID 10756037

IUPAC(2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile
SMILESN#C/C(=C1\OC(=O)c2cccnc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H8N2O4/c17-7-11(9-3-4-12-13(6-9)21-8-20-12)15-14-10(16(19)22-15)2-1-5-18-14/h1-6H,8H2/b15-11+
InChIKeyXILWCFGUFKNEML-RVDMUPIBSA-N
MW292.25 g/mol
LogP2.37
Rot. Bonds1

About (2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile

(2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile (PubChem CID 10756037) has the molecular formula C16H8N2O4 and a molecular weight of 292.25 g/mol. Its IUPAC name is (2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile.

Molecular Properties

Compound Name(2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile
PubChem CID10756037
Molecular FormulaC16H8N2O4
Molecular Weight292.25 g/mol
Exact Mass292.05
IUPAC Name(2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile
SMILESN#C/C(=C1\OC(=O)c2cccnc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H8N2O4/c17-7-11(9-3-4-12-13(6-9)21-8-20-12)15-14-10(16(19)22-15)2-1-5-18-14/h1-6H,8H2/b15-11+
InChIKeyXILWCFGUFKNEML-RVDMUPIBSA-N
XLogP2.37
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzodioxol-5-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 47108196
pyridin-2-yl 1,3-benzodioxole-5-carboxylate
CID 35207859
1-(1,3-benzodioxole-5-carbonyl)cyclopropane-1-carbonitrile
CID 116920811
3-(1,3-benzodioxol-5-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523896
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42376329
N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 91817251
4-[cyano(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)methyl]-2-fluorobenzonitrile
CID 174199163
(E)-2-(1,3-benzodioxol-5-yl)-3-phenylprop-2-enenitrile
CID 126367090
CID 59303845
CID 59303845
3-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylpropanenitrile
CID 121107553
(E)-2-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enenitrile
CID 126370869
(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-pyridin-2-ylprop-2-enamide
CID 25111369

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile?
The IUPAC name of (2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile (CID 10756037) is (2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile.
What is the SMILES notation for (2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile?
The canonical SMILES for (2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile is N#C/C(=C1\OC(=O)c2cccnc21)c1ccc2c(c1)OCO2.
What is the InChIKey of (2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile?
The InChIKey is XILWCFGUFKNEML-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H8N2O4/c17-7-11(9-3-4-12-13(6-9)21-8-20-12)15-14-10(16(19)22-15)2-1-5-18-14/h1-6H,8H2/b15-11+.
What are the key properties of (2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile?
(2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile has a molecular weight of 292.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1,3-benzodioxol-5-yl)-2-(5-oxofuro[3,4-b]pyridin-7-ylidene)acetonitrile is sourced from PubChem (CID 10756037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).