2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide

C15H11N3O4 — CID 4963256

IUPAC2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESN#CC(=Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1
InChIInChI=1S/C15H11N3O4/c16-9-12(15(19)17-10-13-5-3-7-22-13)8-11-4-1-2-6-14(11)18(20)21/h1-8H,10H2,(H,17,19)
InChIKeyRYZFIRKNTOAJER-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.41
Rot. Bonds5

About 2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide

2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 4963256) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID4963256
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESN#CC(=Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1
InChIInChI=1S/C15H11N3O4/c16-9-12(15(19)17-10-13-5-3-7-22-13)8-11-4-1-2-6-14(11)18(20)21/h1-8H,10H2,(H,17,19)
InChIKeyRYZFIRKNTOAJER-UHFFFAOYSA-N
XLogP2.41
TPSA109.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.41
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

(2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide
CID 2688555
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
CID 2688552
2-cyano-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 789481
(Z)-2-cyano-3-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 60528555
(E)-2-cyano-N-(furan-2-ylmethyl)-3-naphthalen-2-ylprop-2-enamide
CID 7480965
2-cyano-N-(furan-2-ylmethyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enamide
CID 3138086
(E)-3-(5-bromo-2-fluorophenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 7480967
2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 2876439
(Z)-3-(2-chloro-5-nitroanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863351
(E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 6526280
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 1117832
(Z)-2-cyano-3-(2-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 19183763

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide (CID 4963256) is 2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide is N#CC(=Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1.
What is the InChIKey of 2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is RYZFIRKNTOAJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c16-9-12(15(19)17-10-13-5-3-7-22-13)8-11-4-1-2-6-14(11)18(20)21/h1-8H,10H2,(H,17,19).
What are the key properties of 2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide?
2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 297.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 4963256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).