[(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine

C11H14N2O3 — CID 125455119

IUPAC[(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine
SMILESNC[C@H]1C[C@H](c2cccc([N+](=O)[O-])c2)CO1
InChIInChI=1S/C11H14N2O3/c12-6-11-5-9(7-16-11)8-2-1-3-10(4-8)13(14)15/h1-4,9,11H,5-7,12H2/t9-,11+/m0/s1
InChIKeyAGVHSJSSGBEGFU-GXSJLCMTSA-N
MW222.24 g/mol
LogP1.43
Rot. Bonds3

About [(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine

[(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine (PubChem CID 125455119) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine
PubChem CID125455119
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine
SMILESNC[C@H]1C[C@H](c2cccc([N+](=O)[O-])c2)CO1
InChIInChI=1S/C11H14N2O3/c12-6-11-5-9(7-16-11)8-2-1-3-10(4-8)13(14)15/h1-4,9,11H,5-7,12H2/t9-,11+/m0/s1
InChIKeyAGVHSJSSGBEGFU-GXSJLCMTSA-N
XLogP1.43
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.43
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,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane
CID 125455635
[(2S,5R)-5-(4-nitrophenyl)oxan-2-yl]methanamine
CID 125455807
(3-nitrophenyl)cycloheptane
CID 142001294
2-(3-nitrophenyl)oxolan-3-amine
CID 79365956
(2R,6S)-4-(3,4-dimethylphenyl)-2,6-bis(3-nitrophenyl)oxane
CID 42604462
2-[(3-nitrophenyl)methyl]oxirane
CID 15181939
2,2-dimethyl-3-(3-nitrophenyl)cyclobutan-1-amine
CID 81415405
(4R,5R)-5-bromo-4-(3-nitrophenyl)-1,3-dioxane
CID 10803249
2-(3-nitrophenyl)-1,3-dioxole
CID 141349380
5-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 143152794
2-[(3-nitrophenyl)sulfanyloxymethyl]oxirane
CID 142108998
(2S,4R)-4-methyl-2-(3-nitrophenyl)-1,3-dioxane
CID 786807

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine?
The IUPAC name of [(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine (CID 125455119) is [(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine?
The canonical SMILES for [(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine is NC[C@H]1C[C@H](c2cccc([N+](=O)[O-])c2)CO1.
What is the InChIKey of [(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine?
The InChIKey is AGVHSJSSGBEGFU-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-6-11-5-9(7-16-11)8-2-1-3-10(4-8)13(14)15/h1-4,9,11H,5-7,12H2/t9-,11+/m0/s1.
What are the key properties of [(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine?
[(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine has a molecular weight of 222.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 125455119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).