5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide

C14H12N2O4 — CID 2268638

IUPAC5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C14H12N2O4/c1-2-8-15-14(17)13-7-6-12(20-13)10-4-3-5-11(9-10)16(18)19/h2-7,9H,1,8H2,(H,15,17)
InChIKeyYXWJCHRJSVOPOY-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.77
Rot. Bonds5

About 5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide

5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide (PubChem CID 2268638) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide
PubChem CID2268638
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C14H12N2O4/c1-2-8-15-14(17)13-7-6-12(20-13)10-4-3-5-11(9-10)16(18)19/h2-7,9H,1,8H2,(H,15,17)
InChIKeyYXWJCHRJSVOPOY-UHFFFAOYSA-N
XLogP2.77
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide?
The IUPAC name of 5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide (CID 2268638) is 5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide.
What is the SMILES notation for 5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide?
The canonical SMILES for 5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide is C=CCNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide?
The InChIKey is YXWJCHRJSVOPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-2-8-15-14(17)13-7-6-12(20-13)10-4-3-5-11(9-10)16(18)19/h2-7,9H,1,8H2,(H,15,17).
What are the key properties of 5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide?
5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide is sourced from PubChem (CID 2268638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).