(E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide

C15H11N3O4 — CID 782472

IUPAC(E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESCNC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C15H11N3O4/c1-17-15(19)11(9-16)8-13-5-6-14(22-13)10-3-2-4-12(7-10)18(20)21/h2-8H,1H3,(H,17,19)/b11-8+
InChIKeyOGQNTBFUBRUDRI-DHZHZOJOSA-N
MW297.27 g/mol
LogP2.51
Rot. Bonds4

About (E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide

(E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide (PubChem CID 782472) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is (E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
PubChem CID782472
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name(E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESCNC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C15H11N3O4/c1-17-15(19)11(9-16)8-13-5-6-14(22-13)10-3-2-4-12(7-10)18(20)21/h2-8H,1H3,(H,17,19)/b11-8+
InChIKeyOGQNTBFUBRUDRI-DHZHZOJOSA-N
XLogP2.51
TPSA109.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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

N-[(Z)-3-[3-(dimethylamino)propylamino]-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131972
4-(3-(5-(3-Nitrophenyl)-2-furyl)-2-propenoyl)morpholine
CID 702620
5-[5-(3-Nitro-phenyl)-furan-2-ylmethylene]-thiazolidine-2,4-dione
CID 1576348
5-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 690397
(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 718081
(Z)-3-[5-(2-Chloro-5-nitro-phenyl)-furan-2-yl]-2-cyano-acrylamide
CID 867550
(Z)-2-Cyano-3-[5-(2-nitro-phenyl)-furan-2-yl]-N-(2-piperidin-1-yl-ethyl)-acrylamide
CID 1899562
(E)-2-(morpholine-4-carbonyl)-3-(5-(3-nitrophenyl)furan-2-yl)acrylonitrile
CID 1120847
1-(3-(5-(3-Nitrophenyl)-2-furyl)-2-propenoyl)piperidine
CID 5889461
N-[(E)-3-[3-(dimethylamino)propylamino]-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131970
(2E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)(2-furyl)]prop-2-enamide
CID 782463
2-Cyano-3-[5-(4-methoxy-2-nitro-phenyl)-furan-2-yl]-N-methyl-acrylamide
CID 782469

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide (CID 782472) is (E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide is CNC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of (E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is OGQNTBFUBRUDRI-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-17-15(19)11(9-16)8-13-5-6-14(22-13)10-3-2-4-12(7-10)18(20)21/h2-8H,1H3,(H,17,19)/b11-8+.
What are the key properties of (E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
(E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 297.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 782472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).