(E)-3-(5-nitrofuran-2-yl)prop-2-enamide

C7H6N2O4 — CID 6433211

IUPAC(E)-3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H6N2O4/c8-6(10)3-1-5-2-4-7(13-5)9(11)12/h1-4H,(H2,8,10)/b3-1+
InChIKeyIZFMIIGMIPRYKL-HNQUOIGGSA-N
MW182.14 g/mol
LogP0.69
Rot. Bonds3

About (E)-3-(5-nitrofuran-2-yl)prop-2-enamide

(E)-3-(5-nitrofuran-2-yl)prop-2-enamide (PubChem CID 6433211) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is (E)-3-(5-nitrofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-nitrofuran-2-yl)prop-2-enamide
PubChem CID6433211
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC Name(E)-3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H6N2O4/c8-6(10)3-1-5-2-4-7(13-5)9(11)12/h1-4H,(H2,8,10)/b3-1+
InChIKeyIZFMIIGMIPRYKL-HNQUOIGGSA-N
XLogP0.69
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Nitrofurazone
CID 5447130
Nifuroxime
CID 5373493
Furylfuramide
CID 5280707
5-Nitrofurfural
CID 12774
Nihydrazone
CID 9561033
3-(5-Nitro-2-furyl)acrylic acid
CID 702695
2-[(5-Nitro-2-furanyl)methylene]-hydrazinecarboxamide
CID 1839
Nitrovin
CID 13118
5-Nitro-2-furaldoxime
CID 6478035
Ethyl 3-(5-nitro-2-furyl)acrylate
CID 899314
5-Nitrofuryl-2-acrolein
CID 5462962
2-(Methoxymethyl)-5-nitrofuran
CID 11469

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-nitrofuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-nitrofuran-2-yl)prop-2-enamide (CID 6433211) is (E)-3-(5-nitrofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-nitrofuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-nitrofuran-2-yl)prop-2-enamide is NC(=O)/C=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (E)-3-(5-nitrofuran-2-yl)prop-2-enamide?
The InChIKey is IZFMIIGMIPRYKL-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H6N2O4/c8-6(10)3-1-5-2-4-7(13-5)9(11)12/h1-4H,(H2,8,10)/b3-1+.
What are the key properties of (E)-3-(5-nitrofuran-2-yl)prop-2-enamide?
(E)-3-(5-nitrofuran-2-yl)prop-2-enamide has a molecular weight of 182.14 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-nitrofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 6433211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).