5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide

C14H12N2O5 — CID 71562416

IUPAC5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide
SMILESC=CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C14H12N2O5/c1-2-9-20-11-5-3-10(4-6-11)15-14(17)12-7-8-13(21-12)16(18)19/h2-8H,1,9H2,(H,15,17)
InChIKeyYGSNMNVRGDJUHY-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.00
Rot. Bonds6

About 5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide

5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide (PubChem CID 71562416) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide
PubChem CID71562416
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide
SMILESC=CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C14H12N2O5/c1-2-9-20-11-5-3-10(4-6-11)15-14(17)12-7-8-13(21-12)16(18)19/h2-8H,1,9H2,(H,15,17)
InChIKeyYGSNMNVRGDJUHY-UHFFFAOYSA-N
XLogP3.00
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide (CID 71562416) is 5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide is C=CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of 5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide?
The InChIKey is YGSNMNVRGDJUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-2-9-20-11-5-3-10(4-6-11)15-14(17)12-7-8-13(21-12)16(18)19/h2-8H,1,9H2,(H,15,17).
What are the key properties of 5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide?
5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 71562416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).