5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide

C15H15N3O4 — CID 2996559

IUPAC5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H15N3O4/c19-15(13-7-8-14(22-13)18(20)21)16-11-5-1-2-6-12(11)17-9-3-4-10-17/h1-2,5-8H,3-4,9-10H2,(H,16,19)
InChIKeyOORUPZVGNHKYDK-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.04
Rot. Bonds4

About 5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide

5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide (PubChem CID 2996559) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
PubChem CID2996559
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H15N3O4/c19-15(13-7-8-14(22-13)18(20)21)16-11-5-1-2-6-12(11)17-9-3-4-10-17/h1-2,5-8H,3-4,9-10H2,(H,16,19)
InChIKeyOORUPZVGNHKYDK-UHFFFAOYSA-N
XLogP3.04
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide (CID 2996559) is 5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide is O=C(Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is OORUPZVGNHKYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-15(13-7-8-14(22-13)18(20)21)16-11-5-1-2-6-12(11)17-9-3-4-10-17/h1-2,5-8H,3-4,9-10H2,(H,16,19).
What are the key properties of 5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 2996559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).