(Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide

C15H11N3O4 — CID 22299025

IUPAC(Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESN#CCc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C15H11N3O4/c16-10-9-11-1-3-12(4-2-11)17-14(19)7-5-13-6-8-15(22-13)18(20)21/h1-8H,9H2,(H,17,19)/b7-5-
InChIKeyZXLYBZWZYMPBQU-ALCCZGGFSA-N
MW297.27 g/mol
LogP2.91
Rot. Bonds5

About (Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide

(Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide (PubChem CID 22299025) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is (Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
PubChem CID22299025
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name(Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESN#CCc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C15H11N3O4/c16-10-9-11-1-3-12(4-2-11)17-14(19)7-5-13-6-8-15(22-13)18(20)21/h1-8H,9H2,(H,17,19)/b7-5-
InChIKeyZXLYBZWZYMPBQU-ALCCZGGFSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(3,4-dimethoxyphenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 1223760
(E)-N-[(4-methylphenyl)methyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9085952
(E)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 17285265
(E)-N-[4-(cyanomethyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9193784
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9080802
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
CID 9088099
(E)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 19398846
(E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 7039893
(E)-N-[4-(cyanomethyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38072631
(E)-N-[4-(cyanomethyl)phenyl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 35830940
1-[(4-fluorophenyl)methyl]-3-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]thiourea
CID 8943041

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide?
The IUPAC name of (Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide (CID 22299025) is (Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide is N#CCc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of (Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide?
The InChIKey is ZXLYBZWZYMPBQU-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H11N3O4/c16-10-9-11-1-3-12(4-2-11)17-14(19)7-5-13-6-8-15(22-13)18(20)21/h1-8H,9H2,(H,17,19)/b7-5-.
What are the key properties of (Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide?
(Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide has a molecular weight of 297.27 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 22299025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).