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

C7H8N2O3 — CID 130737797

IUPAC(2S)-2-(5-nitrofuran-2-yl)azetidine
SMILESO=[N+]([O-])c1ccc([C@@H]2CCN2)o1
InChIInChI=1S/C7H8N2O3/c10-9(11)7-2-1-6(12-7)5-3-4-8-5/h1-2,5,8H,3-4H2/t5-/m0/s1
InChIKeyJXWHVHLBDMFOQY-YFKPBYRVSA-N
MW168.15 g/mol
LogP1.22
Rot. Bonds2

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

(2S)-2-(5-nitrofuran-2-yl)azetidine (PubChem CID 130737797) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (2S)-2-(5-nitrofuran-2-yl)azetidine.

Molecular Properties

Compound Name(2S)-2-(5-nitrofuran-2-yl)azetidine
PubChem CID130737797
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(2S)-2-(5-nitrofuran-2-yl)azetidine
SMILESO=[N+]([O-])c1ccc([C@@H]2CCN2)o1
InChIInChI=1S/C7H8N2O3/c10-9(11)7-2-1-6(12-7)5-3-4-8-5/h1-2,5,8H,3-4H2/t5-/m0/s1
InChIKeyJXWHVHLBDMFOQY-YFKPBYRVSA-N
XLogP1.22
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.22
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)pyrrolidine
CID 55277581
2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride
CID 66525441
2-(5-nitrofuran-2-yl)oxolane-3-carboxylic acid
CID 79367934
[(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine
CID 94557659
(2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride
CID 171196811
2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile
CID 79368491
[5-[(2R)-azetidin-2-yl]furan-2-yl]methanol
CID 55263637
(4S)-2-(5-nitrofuran-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107773985
1-[(2S,4S)-2-(5-nitrofuran-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 139216088
(2S)-2-(3-methyl-4-nitrophenyl)azetidine
CID 130744358
2-(3-methyl-4-nitrophenyl)azetidine
CID 130043332

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-nitrofuran-2-yl)azetidine?
The IUPAC name of (2S)-2-(5-nitrofuran-2-yl)azetidine (CID 130737797) is (2S)-2-(5-nitrofuran-2-yl)azetidine.
What is the SMILES notation for (2S)-2-(5-nitrofuran-2-yl)azetidine?
The canonical SMILES for (2S)-2-(5-nitrofuran-2-yl)azetidine is O=[N+]([O-])c1ccc([C@@H]2CCN2)o1.
What is the InChIKey of (2S)-2-(5-nitrofuran-2-yl)azetidine?
The InChIKey is JXWHVHLBDMFOQY-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-9(11)7-2-1-6(12-7)5-3-4-8-5/h1-2,5,8H,3-4H2/t5-/m0/s1.
What are the key properties of (2S)-2-(5-nitrofuran-2-yl)azetidine?
(2S)-2-(5-nitrofuran-2-yl)azetidine has a molecular weight of 168.15 g/mol, XLogP of 1.22, 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)azetidine is sourced from PubChem (CID 130737797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).