5-(4-nitrophenyl)-5-azaspiro[2.5]octane

C13H16N2O2 — CID 133480921

IUPAC5-(4-nitrophenyl)-5-azaspiro[2.5]octane
SMILESO=[N+]([O-])c1ccc(N2CCCC3(CC3)C2)cc1
InChIInChI=1S/C13H16N2O2/c16-15(17)12-4-2-11(3-5-12)14-9-1-6-13(10-14)7-8-13/h2-5H,1,6-10H2
InChIKeyFIAZWERJHPGZKA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.98
Rot. Bonds2

About 5-(4-nitrophenyl)-5-azaspiro[2.5]octane

5-(4-nitrophenyl)-5-azaspiro[2.5]octane (PubChem CID 133480921) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-(4-nitrophenyl)-5-azaspiro[2.5]octane
PubChem CID133480921
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-(4-nitrophenyl)-5-azaspiro[2.5]octane
SMILESO=[N+]([O-])c1ccc(N2CCCC3(CC3)C2)cc1
InChIInChI=1S/C13H16N2O2/c16-15(17)12-4-2-11(3-5-12)14-9-1-6-13(10-14)7-8-13/h2-5H,1,6-10H2
InChIKeyFIAZWERJHPGZKA-UHFFFAOYSA-N
XLogP2.98
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-(4-nitrophenyl)-7-oxa-2-azaspiro[3.5]nonane
CID 118979580
3-ethyl-1-(4-nitrophenyl)piperidine-3-carboxylic acid
CID 63136304
6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane
CID 154969076
4-(5-azaspiro[2.5]octan-5-yl)benzonitrile
CID 133480870
7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride
CID 177197386
1-[4-(4-nitrophenyl)phenyl]piperidine
CID 22899688
2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione
CID 146198268
[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 5152218
1,1-dimethyl-4-(4-nitrophenyl)-1,4-diazepan-1-ium chloride
CID 69429847
5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane
CID 118348190
2-(6-azaspiro[3.4]octan-6-yl)-4-nitrobenzenesulfonamide
CID 84599399
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-5-azaspiro[2.5]octane?
The IUPAC name of 5-(4-nitrophenyl)-5-azaspiro[2.5]octane (CID 133480921) is 5-(4-nitrophenyl)-5-azaspiro[2.5]octane.
What is the SMILES notation for 5-(4-nitrophenyl)-5-azaspiro[2.5]octane?
The canonical SMILES for 5-(4-nitrophenyl)-5-azaspiro[2.5]octane is O=[N+]([O-])c1ccc(N2CCCC3(CC3)C2)cc1.
What is the InChIKey of 5-(4-nitrophenyl)-5-azaspiro[2.5]octane?
The InChIKey is FIAZWERJHPGZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-15(17)12-4-2-11(3-5-12)14-9-1-6-13(10-14)7-8-13/h2-5H,1,6-10H2.
What are the key properties of 5-(4-nitrophenyl)-5-azaspiro[2.5]octane?
5-(4-nitrophenyl)-5-azaspiro[2.5]octane has a molecular weight of 232.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-5-azaspiro[2.5]octane is sourced from PubChem (CID 133480921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).