(E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide

C14H12N2O4 — CID 5348570

IUPAC(E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C14H12N2O4/c1-10-2-7-13(20-10)8-9-14(17)15-11-3-5-12(6-4-11)16(18)19/h2-9H,1H3,(H,15,17)/b9-8+
InChIKeyBKSJPILHDNOBQP-CMDGGOBGSA-N
MW272.26 g/mol
LogP3.15
Rot. Bonds4

About (E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide (PubChem CID 5348570) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide
PubChem CID5348570
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C14H12N2O4/c1-10-2-7-13(20-10)8-9-14(17)15-11-3-5-12(6-4-11)16(18)19/h2-9H,1H3,(H,15,17)/b9-8+
InChIKeyBKSJPILHDNOBQP-CMDGGOBGSA-N
XLogP3.15
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide (CID 5348570) is (E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide?
The InChIKey is BKSJPILHDNOBQP-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-10-2-7-13(20-10)8-9-14(17)15-11-3-5-12(6-4-11)16(18)19/h2-9H,1H3,(H,15,17)/b9-8+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide has a molecular weight of 272.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 5348570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).