(5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone

C9H10N2O4 — CID 2227438

IUPAC(5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCCC1
InChIInChI=1S/C9H10N2O4/c12-9(10-5-1-2-6-10)7-3-4-8(15-7)11(13)14/h3-4H,1-2,5-6H2
InChIKeyLDUXYBUURARSSA-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.42
Rot. Bonds2

About (5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone

(5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 2227438) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID2227438
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCCC1
InChIInChI=1S/C9H10N2O4/c12-9(10-5-1-2-6-10)7-3-4-8(15-7)11(13)14/h3-4H,1-2,5-6H2
InChIKeyLDUXYBUURARSSA-UHFFFAOYSA-N
XLogP1.42
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone (CID 2227438) is (5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1ccc([N+](=O)[O-])o1)N1CCCC1.
What is the InChIKey of (5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is LDUXYBUURARSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-9(10-5-1-2-6-10)7-3-4-8(15-7)11(13)14/h3-4H,1-2,5-6H2.
What are the key properties of (5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone?
(5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 210.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrofuran-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2227438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).