spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride

C11H14ClNO2 — CID 2927039

IUPACspiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride
SMILESCl.Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C11H13NO2.ClH/c12-8-3-4-9-10(7-8)14-11(13-9)5-1-2-6-11;/h3-4,7H,1-2,5-6,12H2;1H
InChIKeyUMLSTNVOWHQQSB-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.73
Rot. Bonds

About spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride

spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride (PubChem CID 2927039) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride.

Molecular Properties

Compound Namespiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride
PubChem CID2927039
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namespiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride
SMILESCl.Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C11H13NO2.ClH/c12-8-3-4-9-10(7-8)14-11(13-9)5-1-2-6-11;/h3-4,7H,1-2,5-6,12H2;1H
InChIKeyUMLSTNVOWHQQSB-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride?
The IUPAC name of spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride (CID 2927039) is spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride.
What is the SMILES notation for spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride?
The canonical SMILES for spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride is Cl.Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride?
The InChIKey is UMLSTNVOWHQQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c12-8-3-4-9-10(7-8)14-11(13-9)5-1-2-6-11;/h3-4,7H,1-2,5-6,12H2;1H.
What are the key properties of spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride?
spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride is sourced from PubChem (CID 2927039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).