(2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide

C17H13N3O4 — CID 2688555

IUPAC(2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide
SMILESN#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1
InChIInChI=1S/C17H13N3O4/c18-11-14(17(21)19-12-15-8-4-10-24-15)7-3-6-13-5-1-2-9-16(13)20(22)23/h1-10H,12H2,(H,19,21)/b6-3+,14-7+
InChIKeySISONLWCMWHRMR-OPACAPKMSA-N
MW323.31 g/mol
LogP2.97
Rot. Bonds6

About (2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide

(2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide (PubChem CID 2688555) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is (2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide
PubChem CID2688555
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name(2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide
SMILESN#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1
InChIInChI=1S/C17H13N3O4/c18-11-14(17(21)19-12-15-8-4-10-24-15)7-3-6-13-5-1-2-9-16(13)20(22)23/h1-10H,12H2,(H,19,21)/b6-3+,14-7+
InChIKeySISONLWCMWHRMR-OPACAPKMSA-N
XLogP2.97
TPSA109.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.97
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4963256
2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide
CID 76724210
2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide
CID 4022232
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
CID 2688552
(2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide
CID 78784337
(Z)-3-(2-chloro-5-nitroanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863351
(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863327
(E)-2-cyano-N-(furan-2-ylmethyl)-3-naphthalen-2-ylprop-2-enamide
CID 7480965
2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 2876439
2-cyano-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 789481
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108863444
(2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide
CID 2351530

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide (CID 2688555) is (2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide is N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1.
What is the InChIKey of (2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide?
The InChIKey is SISONLWCMWHRMR-OPACAPKMSA-N. The full InChI is InChI=1S/C17H13N3O4/c18-11-14(17(21)19-12-15-8-4-10-24-15)7-3-6-13-5-1-2-9-16(13)20(22)23/h1-10H,12H2,(H,19,21)/b6-3+,14-7+.
What are the key properties of (2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide?
(2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide has a molecular weight of 323.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide is sourced from PubChem (CID 2688555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).