(2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane

C12H13NO3 — CID 135041702

IUPAC(2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane
SMILESC=C[C@H]1CO[C@H](c2ccccc2)[C@@H]1[N+](=O)[O-]
InChIInChI=1S/C12H13NO3/c1-2-9-8-16-12(11(9)13(14)15)10-6-4-3-5-7-10/h2-7,9,11-12H,1,8H2/t9-,11+,12+/m0/s1
InChIKeyFVLQAHQKPKZKPT-MVWJERBFSA-N
MW219.24 g/mol
LogP2.21
Rot. Bonds3

About (2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane

(2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane (PubChem CID 135041702) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane.

Molecular Properties

Compound Name(2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane
PubChem CID135041702
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane
SMILESC=C[C@H]1CO[C@H](c2ccccc2)[C@@H]1[N+](=O)[O-]
InChIInChI=1S/C12H13NO3/c1-2-9-8-16-12(11(9)13(14)15)10-6-4-3-5-7-10/h2-7,9,11-12H,1,8H2/t9-,11+,12+/m0/s1
InChIKeyFVLQAHQKPKZKPT-MVWJERBFSA-N
XLogP2.21
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

4-ethenyl-2-phenyloxolan-3-ol
CID 130149084
(2R,3S,4R,6S)-4-ethenyl-3-nitro-6-phenyl-2-propan-2-yloxane
CID 102259797
bis(nitric acid);2-phenyloxolane-3,4-diol
CID 88723000
(2S,3S,4R)-4-(3-methylphenyl)-3-nitro-2-phenyloxane
CID 122222452
4-nitroso-5-phenyloxolane-3-carbaldehyde
CID 10262354
(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol
CID 12996147
(4-ethenyl-5-phenyloxolan-3-yl)methanol
CID 101456903
(2R,3R,4S)-4-ethenyl-2-(4-methylphenyl)-3-nitrospiro[cyclopentane-1,2'-indene]-1',3'-dione
CID 122215448
(2R,3S,4R)-3-nitro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 1229687
(3S,4R,5S)-4-nitro-3-phenyl-5-[(E)-2-phenylethenyl]cyclohexan-1-one
CID 132918845
2-phenyloxirane;3-prop-2-enoxyprop-1-ene
CID 87729483
(4S,5R)-4-[(2S,5S,6S)-5,6-diphenyl-1,4-dioxan-2-yl]-5-ethenyl-1,3-dioxolan-2-one
CID 11428114

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane?
The IUPAC name of (2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane (CID 135041702) is (2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane.
What is the SMILES notation for (2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane?
The canonical SMILES for (2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane is C=C[C@H]1CO[C@H](c2ccccc2)[C@@H]1[N+](=O)[O-].
What is the InChIKey of (2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane?
The InChIKey is FVLQAHQKPKZKPT-MVWJERBFSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-9-8-16-12(11(9)13(14)15)10-6-4-3-5-7-10/h2-7,9,11-12H,1,8H2/t9-,11+,12+/m0/s1.
What are the key properties of (2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane?
(2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane has a molecular weight of 219.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane is sourced from PubChem (CID 135041702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).