1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid

C10H12N2O5 — CID 63031711

IUPAC1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C10H12N2O5/c13-10(14)7-3-4-11(5-7)6-8-1-2-9(17-8)12(15)16/h1-2,7H,3-6H2,(H,13,14)
InChIKeyOFLVFRRFJXLVOQ-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.09
Rot. Bonds4

About 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid

1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031711) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID63031711
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C10H12N2O5/c13-10(14)7-3-4-11(5-7)6-8-1-2-9(17-8)12(15)16/h1-2,7H,3-6H2,(H,13,14)
InChIKeyOFLVFRRFJXLVOQ-UHFFFAOYSA-N
XLogP1.09
TPSA96.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.09
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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Related Compounds

ethyl 1-[(5-nitrofuran-2-yl)methyl]piperidine-4-carboxylate
CID 791307
3-[1-[(5-nitrofuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218057
1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol
CID 63282386
2-methyl-2-[1-[(5-nitrofuran-2-yl)methyl]piperidin-3-yl]propanoic acid
CID 83200227
1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63032039
1-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903936
1-[(5-nitrofuran-2-yl)methyl]piperazine
CID 43143138
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036293
1-[1-[(5-nitrofuran-2-yl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311718
1-[(5-nitrofuran-2-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 63936391
3-methyl-1-[(5-nitrofuran-2-yl)methyl]piperidine-3-carboxylic acid
CID 63137556
1-[(2-methoxy-5-nitrophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904561

Frequently Asked Questions

What is the IUPAC name of 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid (CID 63031711) is 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is OFLVFRRFJXLVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c13-10(14)7-3-4-11(5-7)6-8-1-2-9(17-8)12(15)16/h1-2,7H,3-6H2,(H,13,14).
What are the key properties of 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid?
1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).