8-(3-nitrophenyl)-6-azaspiro[2.5]octane

C13H16N2O2 — CID 175957530

IUPAC8-(3-nitrophenyl)-6-azaspiro[2.5]octane
SMILESO=[N+]([O-])c1cccc(C2CNCCC23CC3)c1
InChIInChI=1S/C13H16N2O2/c16-15(17)11-3-1-2-10(8-11)12-9-14-7-6-13(12)4-5-13/h1-3,8,12,14H,4-7,9H2
InChIKeyWBHWLJFVBUZWHM-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.45
Rot. Bonds2

About 8-(3-nitrophenyl)-6-azaspiro[2.5]octane

8-(3-nitrophenyl)-6-azaspiro[2.5]octane (PubChem CID 175957530) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 8-(3-nitrophenyl)-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name8-(3-nitrophenyl)-6-azaspiro[2.5]octane
PubChem CID175957530
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name8-(3-nitrophenyl)-6-azaspiro[2.5]octane
SMILESO=[N+]([O-])c1cccc(C2CNCCC23CC3)c1
InChIInChI=1S/C13H16N2O2/c16-15(17)11-3-1-2-10(8-11)12-9-14-7-6-13(12)4-5-13/h1-3,8,12,14H,4-7,9H2
InChIKeyWBHWLJFVBUZWHM-UHFFFAOYSA-N
XLogP2.45
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,2-dimethyl-3-(3-nitrophenyl)cyclobutan-1-amine
CID 81415405
5-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 143152794
1-[(1R,2S)-2-methyl-2-phenylcyclopropyl]-3-nitrobenzene
CID 134969429
3-(3-nitrophenyl)-(1,2-15N2)3H-diazirine
CID 164713943
(3-nitrophenyl)cycloheptane
CID 142001294
(3R,4S)-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972023
(6S)-6-(3-nitrophenyl)-5,8-diazaspiro[3.4]octan-7-one
CID 86334218
2,6-bis(3-nitrophenyl)thian-4-one
CID 10089760
11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79432043
4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 66228283
dimethyl 2-(3-nitrophenyl)cyclobutane-1,1-dicarboxylate
CID 139350699
1-[(1R,2S)-2-methyl-2-(4-methylphenyl)cyclopropyl]-3-nitrobenzene
CID 57407498

Frequently Asked Questions

What is the IUPAC name of 8-(3-nitrophenyl)-6-azaspiro[2.5]octane?
The IUPAC name of 8-(3-nitrophenyl)-6-azaspiro[2.5]octane (CID 175957530) is 8-(3-nitrophenyl)-6-azaspiro[2.5]octane.
What is the SMILES notation for 8-(3-nitrophenyl)-6-azaspiro[2.5]octane?
The canonical SMILES for 8-(3-nitrophenyl)-6-azaspiro[2.5]octane is O=[N+]([O-])c1cccc(C2CNCCC23CC3)c1.
What is the InChIKey of 8-(3-nitrophenyl)-6-azaspiro[2.5]octane?
The InChIKey is WBHWLJFVBUZWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-15(17)11-3-1-2-10(8-11)12-9-14-7-6-13(12)4-5-13/h1-3,8,12,14H,4-7,9H2.
What are the key properties of 8-(3-nitrophenyl)-6-azaspiro[2.5]octane?
8-(3-nitrophenyl)-6-azaspiro[2.5]octane has a molecular weight of 232.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-nitrophenyl)-6-azaspiro[2.5]octane is sourced from PubChem (CID 175957530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).