5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane

C14H15NO2 — CID 178119267

IUPAC5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane
SMILESC=CC1(c2cccc([N+](=O)[O-])c2)CC2(CC2)C1
InChIInChI=1S/C14H15NO2/c1-2-14(9-13(10-14)6-7-13)11-4-3-5-12(8-11)15(16)17/h2-5,8H,1,6-7,9-10H2
InChIKeyUBMKAUJKYZTACX-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.59
Rot. Bonds3

About 5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane

5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane (PubChem CID 178119267) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane.

Molecular Properties

Compound Name5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane
PubChem CID178119267
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane
SMILESC=CC1(c2cccc([N+](=O)[O-])c2)CC2(CC2)C1
InChIInChI=1S/C14H15NO2/c1-2-14(9-13(10-14)6-7-13)11-4-3-5-12(8-11)15(16)17/h2-5,8H,1,6-7,9-10H2
InChIKeyUBMKAUJKYZTACX-UHFFFAOYSA-N
XLogP3.59
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-(3-nitrophenyl)spiro[3.4]octan-2-amine
CID 103194024
2-(3-nitrophenyl)spiro[3.6]decan-2-amine
CID 103194041
2-(3-nitrophenyl)spiro[3.5]nonan-2-amine
CID 103194032
N-[[5-(3-nitrophenyl)spiro[2.3]hexane-5-carbonyl]amino]formamide
CID 171753175
[1-(3-nitrophenyl)cyclopropyl]methanol
CID 131010152
2,4,4,5,5-pentamethyl-2-(3-nitrophenyl)-1,3-dioxolane
CID 10378183
1-[(1R,2S)-2-methyl-2-phenylcyclopropyl]-3-nitrobenzene
CID 134969429
3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 43155325
CID 175409039
CID 175409039
(3R)-3-(3-nitrophenyl)-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane
CID 166442987
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
(5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol
CID 122208756

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane?
The IUPAC name of 5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane (CID 178119267) is 5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane.
What is the SMILES notation for 5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane?
The canonical SMILES for 5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane is C=CC1(c2cccc([N+](=O)[O-])c2)CC2(CC2)C1.
What is the InChIKey of 5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane?
The InChIKey is UBMKAUJKYZTACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-14(9-13(10-14)6-7-13)11-4-3-5-12(8-11)15(16)17/h2-5,8H,1,6-7,9-10H2.
What are the key properties of 5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane?
5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane has a molecular weight of 229.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane is sourced from PubChem (CID 178119267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).