4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline

C12H15NO2 — CID 170008910

IUPAC4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline
SMILESNc1ccc(C2CC3(C2)OCCO3)cc1
InChIInChI=1S/C12H15NO2/c13-11-3-1-9(2-4-11)10-7-12(8-10)14-5-6-15-12/h1-4,10H,5-8,13H2
InChIKeyQVYSLEJZBAZWLI-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.89
Rot. Bonds1

About 4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline

4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline (PubChem CID 170008910) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline.

Molecular Properties

Compound Name4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline
PubChem CID170008910
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline
SMILESNc1ccc(C2CC3(C2)OCCO3)cc1
InChIInChI=1S/C12H15NO2/c13-11-3-1-9(2-4-11)10-7-12(8-10)14-5-6-15-12/h1-4,10H,5-8,13H2
InChIKeyQVYSLEJZBAZWLI-UHFFFAOYSA-N
XLogP1.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline?
The IUPAC name of 4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline (CID 170008910) is 4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline.
What is the SMILES notation for 4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline?
The canonical SMILES for 4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline is Nc1ccc(C2CC3(C2)OCCO3)cc1.
What is the InChIKey of 4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline?
The InChIKey is QVYSLEJZBAZWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-11-3-1-9(2-4-11)10-7-12(8-10)14-5-6-15-12/h1-4,10H,5-8,13H2.
What are the key properties of 4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline?
4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline has a molecular weight of 205.26 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,8-dioxaspiro[3.4]octan-2-yl)aniline is sourced from PubChem (CID 170008910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).