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

C11H13NO2 — CID 723950

IUPACspiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine
SMILESNc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C11H13NO2/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
InChIKeyBZDIQBHWAGKIDI-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.31
Rot. Bonds

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

spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine (PubChem CID 723950) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine.

Molecular Properties

Compound Namespiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine
PubChem CID723950
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namespiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine
SMILESNc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C11H13NO2/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
InChIKeyBZDIQBHWAGKIDI-UHFFFAOYSA-N
XLogP2.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.31
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 spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine?
The IUPAC name of spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine (CID 723950) is spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine.
What is the SMILES notation for spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine?
The canonical SMILES for spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine is Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine?
The InChIKey is BZDIQBHWAGKIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/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.
What are the key properties of spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine?
spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine has a molecular weight of 191.23 g/mol, XLogP of 2.31, 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 is sourced from PubChem (CID 723950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).