2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile

C15H9N3O4 — CID 4910648

IUPAC2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
SMILESCOc1ccc(-c2ccc(C=C(C#N)C#N)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H9N3O4/c1-21-11-2-4-13(14(7-11)18(19)20)15-5-3-12(22-15)6-10(8-16)9-17/h2-7H,1H3
InChIKeyWVVDTNVNGDZFAG-UHFFFAOYSA-N
MW295.25 g/mol
LogP3.29
Rot. Bonds4

About 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile

2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile (PubChem CID 4910648) has the molecular formula C15H9N3O4 and a molecular weight of 295.25 g/mol. Its IUPAC name is 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
PubChem CID4910648
Molecular FormulaC15H9N3O4
Molecular Weight295.25 g/mol
Exact Mass295.06
IUPAC Name2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
SMILESCOc1ccc(-c2ccc(C=C(C#N)C#N)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H9N3O4/c1-21-11-2-4-13(14(7-11)18(19)20)15-5-3-12(22-15)6-10(8-16)9-17/h2-7H,1H3
InChIKeyWVVDTNVNGDZFAG-UHFFFAOYSA-N
XLogP3.29
TPSA113.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

(E)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 126352290
2-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 789763
(E)-2-(1,3-benzodioxol-5-yl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 126369462
2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
CID 40567403
3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enoic acid
CID 53395882
(Z)-2-cyano-N-(2-fluorophenyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 2275178
(E)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 27114184
2-cyano-N-(2-hydroxy-4-nitrophenyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 5083666
(Z)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 170918842
N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine
CID 3674969
2-cyano-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 171333502
2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 800283

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile?
The IUPAC name of 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile (CID 4910648) is 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile is COc1ccc(-c2ccc(C=C(C#N)C#N)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile?
The InChIKey is WVVDTNVNGDZFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O4/c1-21-11-2-4-13(14(7-11)18(19)20)15-5-3-12(22-15)6-10(8-16)9-17/h2-7H,1H3.
What are the key properties of 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile?
2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile has a molecular weight of 295.25 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile is sourced from PubChem (CID 4910648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).