5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide

C9H11N3O4 — CID 62379342

IUPAC5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
SMILESO=C(NC1CCNC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H11N3O4/c13-9(11-6-3-4-10-5-6)7-1-2-8(16-7)12(14)15/h1-2,6,10H,3-5H2,(H,11,13)
InChIKeyUMLJDDNOITVSHY-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.28
Rot. Bonds3

About 5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide

5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide (PubChem CID 62379342) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
PubChem CID62379342
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
SMILESO=C(NC1CCNC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H11N3O4/c13-9(11-6-3-4-10-5-6)7-1-2-8(16-7)12(14)15/h1-2,6,10H,3-5H2,(H,11,13)
InChIKeyUMLJDDNOITVSHY-UHFFFAOYSA-N
XLogP0.28
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
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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Related Compounds

N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride
CID 120600819
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide
CID 43594400
5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 98790580
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide
CID 120943472
5-methyl-N-piperidin-3-ylfuran-2-carboxamide
CID 43603726
5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride
CID 119445931
5-(methoxymethyl)-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119450206
N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide
CID 3011950
4-methyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55068272
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide
CID 66197676
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide
CID 114302230
4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 79689166

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide?
The IUPAC name of 5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide (CID 62379342) is 5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide.
What is the SMILES notation for 5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide?
The canonical SMILES for 5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide is O=C(NC1CCNC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide?
The InChIKey is UMLJDDNOITVSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-9(11-6-3-4-10-5-6)7-1-2-8(16-7)12(14)15/h1-2,6,10H,3-5H2,(H,11,13).
What are the key properties of 5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide?
5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide has a molecular weight of 225.20 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide is sourced from PubChem (CID 62379342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).