1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine]

C11H13NO2 — CID 545804

IUPAC1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine]
SMILESCN1CCC2(C1)Oc1ccccc1O2
InChIInChI=1S/C11H13NO2/c1-12-7-6-11(8-12)13-9-4-2-3-5-10(9)14-11/h2-5H,6-8H2,1H3
InChIKeyAPZDXXRZAVORTA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.49
Rot. Bonds

About 1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine]

1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine] (PubChem CID 545804) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine].

Molecular Properties

Compound Name1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine]
PubChem CID545804
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine]
SMILESCN1CCC2(C1)Oc1ccccc1O2
InChIInChI=1S/C11H13NO2/c1-12-7-6-11(8-12)13-9-4-2-3-5-10(9)14-11/h2-5H,6-8H2,1H3
InChIKeyAPZDXXRZAVORTA-UHFFFAOYSA-N
XLogP1.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine]?
The IUPAC name of 1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine] (CID 545804) is 1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine].
What is the SMILES notation for 1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine]?
The canonical SMILES for 1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine] is CN1CCC2(C1)Oc1ccccc1O2.
What is the InChIKey of 1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine]?
The InChIKey is APZDXXRZAVORTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-7-6-11(8-12)13-9-4-2-3-5-10(9)14-11/h2-5H,6-8H2,1H3.
What are the key properties of 1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine]?
1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine] has a molecular weight of 191.23 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1,3-benzodioxole-2,3'-pyrrolidine] is sourced from PubChem (CID 545804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).