(2S)-2-(5-nitrofuran-2-yl)pyrrolidine

C8H10N2O3 — CID 55277581

IUPAC(2S)-2-(5-nitrofuran-2-yl)pyrrolidine
SMILESO=[N+]([O-])c1ccc([C@@H]2CCCN2)o1
InChIInChI=1S/C8H10N2O3/c11-10(12)8-4-3-7(13-8)6-2-1-5-9-6/h3-4,6,9H,1-2,5H2/t6-/m0/s1
InChIKeyWVVCPWXOPLZNLY-LURJTMIESA-N
MW182.18 g/mol
LogP1.61
Rot. Bonds2

About (2S)-2-(5-nitrofuran-2-yl)pyrrolidine

(2S)-2-(5-nitrofuran-2-yl)pyrrolidine (PubChem CID 55277581) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2S)-2-(5-nitrofuran-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(5-nitrofuran-2-yl)pyrrolidine
PubChem CID55277581
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(2S)-2-(5-nitrofuran-2-yl)pyrrolidine
SMILESO=[N+]([O-])c1ccc([C@@H]2CCCN2)o1
InChIInChI=1S/C8H10N2O3/c11-10(12)8-4-3-7(13-8)6-2-1-5-9-6/h3-4,6,9H,1-2,5H2/t6-/m0/s1
InChIKeyWVVCPWXOPLZNLY-LURJTMIESA-N
XLogP1.61
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
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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Related Compounds

(2R)-2-(5-nitrofuran-2-yl)azetidine
CID 55263737
(2S)-2-(5-nitrofuran-2-yl)azetidine
CID 130737797
2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride
CID 66525441
5-pyrrolidin-2-ylfuran-2-ol
CID 130002334
(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
CID 171195300
(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine
CID 66519018
5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile
CID 131142987
(2S)-2-(5-chloro-2-nitrophenyl)piperidine
CID 131335859
(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
CID 171195941
2-(2,4-dinitrophenyl)azepane
CID 57177004
(2S)-2-(4-fluoro-2-nitrophenyl)piperidine
CID 131395482
2-(4-fluoro-2-nitrophenyl)azepane
CID 113417343

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-nitrofuran-2-yl)pyrrolidine?
The IUPAC name of (2S)-2-(5-nitrofuran-2-yl)pyrrolidine (CID 55277581) is (2S)-2-(5-nitrofuran-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(5-nitrofuran-2-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(5-nitrofuran-2-yl)pyrrolidine is O=[N+]([O-])c1ccc([C@@H]2CCCN2)o1.
What is the InChIKey of (2S)-2-(5-nitrofuran-2-yl)pyrrolidine?
The InChIKey is WVVCPWXOPLZNLY-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2O3/c11-10(12)8-4-3-7(13-8)6-2-1-5-9-6/h3-4,6,9H,1-2,5H2/t6-/m0/s1.
What are the key properties of (2S)-2-(5-nitrofuran-2-yl)pyrrolidine?
(2S)-2-(5-nitrofuran-2-yl)pyrrolidine has a molecular weight of 182.18 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-nitrofuran-2-yl)pyrrolidine is sourced from PubChem (CID 55277581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).