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

C15H11N3O4 — CID 782463

IUPAC(E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C15H11N3O4/c1-17-15(19)10(9-16)8-11-6-7-14(22-11)12-4-2-3-5-13(12)18(20)21/h2-8H,1H3,(H,17,19)/b10-8+
InChIKeyFVLGDBAKHOWVBP-CSKARUKUSA-N
MW297.27 g/mol
LogP2.51
Rot. Bonds4

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

(E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide (PubChem CID 782463) 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-(2-nitrophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
PubChem CID782463
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name(E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C15H11N3O4/c1-17-15(19)10(9-16)8-11-6-7-14(22-11)12-4-2-3-5-13(12)18(20)21/h2-8H,1H3,(H,17,19)/b10-8+
InChIKeyFVLGDBAKHOWVBP-CSKARUKUSA-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

5-[[5-(2-Nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 691845
N-[(Z)-3-[3-(dimethylamino)propylamino]-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131982
(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 718081
(Z)-2-Cyano-3-[5-(2-nitro-phenyl)-furan-2-yl]-N-(2-piperidin-1-yl-ethyl)-acrylamide
CID 1899562
5-[[5-(2-Nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2256034
1-[5-Acetyl-2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridin-3-yl]ethanone
CID 1345511
(5Z)-3-Ethyl-5-{[5-(2-nitrophenyl)furan-2-YL]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2145944
(5Z)-2-imino-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidin-4-one
CID 1227681
2-Cyano-3-[5-(4-methoxy-2-nitro-phenyl)-furan-2-yl]-N-methyl-acrylamide
CID 782469
1-allyl-5-{[5-(2-nitrophenyl)-2-furyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2262142
2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
CID 2274646
(E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 5340558

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide (CID 782463) is (E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide is CNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of (E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is FVLGDBAKHOWVBP-CSKARUKUSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-17-15(19)10(9-16)8-11-6-7-14(22-11)12-4-2-3-5-13(12)18(20)21/h2-8H,1H3,(H,17,19)/b10-8+.
What are the key properties of (E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide?
(E)-2-cyano-N-methyl-3-[5-(2-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-(2-nitrophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 782463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).