2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile

C15H9N3O3 — CID 800283

IUPAC2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
SMILESCc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(C#N)C#N)o1
InChIInChI=1S/C15H9N3O3/c1-10-2-3-12(18(19)20)7-14(10)15-5-4-13(21-15)6-11(8-16)9-17/h2-7H,1H3
InChIKeyZBPWOQBRYAJNGC-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.59
Rot. Bonds3

About 2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile

2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile (PubChem CID 800283) has the molecular formula C15H9N3O3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
PubChem CID800283
Molecular FormulaC15H9N3O3
Molecular Weight279.26 g/mol
Exact Mass279.06
IUPAC Name2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
SMILESCc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(C#N)C#N)o1
InChIInChI=1S/C15H9N3O3/c1-10-2-3-12(18(19)20)7-14(10)15-5-4-13(21-15)6-11(8-16)9-17/h2-7H,1H3
InChIKeyZBPWOQBRYAJNGC-UHFFFAOYSA-N
XLogP3.59
TPSA103.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile 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

(E)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enamide
CID 800289
(E)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374787
2-(4-bromophenyl)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 2978223
ethyl (E)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enoate
CID 800286
2-(2-fluorophenyl)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 5024762
2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 812283
(E)-4-[5-(2-methyl-5-nitrophenyl)furan-2-yl]but-3-en-2-one
CID 50884965
(E)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide
CID 1354810
(E)-N-benzyl-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enamide
CID 6529815
(E)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 7263320
5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile
CID 2992476
(Z)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 170918692

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile?
The IUPAC name of 2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile (CID 800283) is 2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile is Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(C#N)C#N)o1.
What is the InChIKey of 2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile?
The InChIKey is ZBPWOQBRYAJNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O3/c1-10-2-3-12(18(19)20)7-14(10)15-5-4-13(21-15)6-11(8-16)9-17/h2-7H,1H3.
What are the key properties of 2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile?
2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile has a molecular weight of 279.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile is sourced from PubChem (CID 800283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).