(2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane

C11H12N4O3 — CID 125455635

IUPAC(2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane
SMILES[N-]=[N+]=NC[C@H]1C[C@H](c2cccc([N+](=O)[O-])c2)CO1
InChIInChI=1S/C11H12N4O3/c12-14-13-6-11-5-9(7-18-11)8-2-1-3-10(4-8)15(16)17/h1-4,9,11H,5-7H2/t9-,11+/m0/s1
InChIKeyFRBFENZTMHXXPL-GXSJLCMTSA-N
MW248.24 g/mol
LogP2.78
Rot. Bonds4

About (2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane

(2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane (PubChem CID 125455635) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is (2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane.

Molecular Properties

Compound Name(2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane
PubChem CID125455635
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name(2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane
SMILES[N-]=[N+]=NC[C@H]1C[C@H](c2cccc([N+](=O)[O-])c2)CO1
InChIInChI=1S/C11H12N4O3/c12-14-13-6-11-5-9(7-18-11)8-2-1-3-10(4-8)15(16)17/h1-4,9,11H,5-7H2/t9-,11+/m0/s1
InChIKeyFRBFENZTMHXXPL-GXSJLCMTSA-N
XLogP2.78
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanamine
CID 125455119
(2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane
CID 125456725
2-(azidomethyl)-4-(3-methylphenyl)oxolane
CID 165454944
(3-nitrophenyl)cycloheptane
CID 142001294
(2R,6S)-4-(3,4-dimethylphenyl)-2,6-bis(3-nitrophenyl)oxane
CID 42604462
2-[(3-nitrophenyl)methyl]oxirane
CID 15181939
2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane
CID 16749260
2-[(3-nitrophenyl)sulfanyloxymethyl]oxirane
CID 142108998
2-(3-nitrophenyl)oxolan-3-amine
CID 79365956
(4R,5R)-5-bromo-4-(3-nitrophenyl)-1,3-dioxane
CID 10803249
2-(3-nitrophenyl)-1,3-dioxole
CID 141349380
1-(2-azidoethyl)-3-(3-nitrophenyl)urea
CID 61343252

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane?
The IUPAC name of (2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane (CID 125455635) is (2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane.
What is the SMILES notation for (2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane?
The canonical SMILES for (2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane is [N-]=[N+]=NC[C@H]1C[C@H](c2cccc([N+](=O)[O-])c2)CO1.
What is the InChIKey of (2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane?
The InChIKey is FRBFENZTMHXXPL-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H12N4O3/c12-14-13-6-11-5-9(7-18-11)8-2-1-3-10(4-8)15(16)17/h1-4,9,11H,5-7H2/t9-,11+/m0/s1.
What are the key properties of (2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane?
(2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane has a molecular weight of 248.24 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane is sourced from PubChem (CID 125455635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).