2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine

C12H15NO2 — CID 10104394

IUPAC2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine
SMILESCN1CCCC1c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO2/c1-13-6-2-3-10(13)9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyYIDSRQHYMDXMGU-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.18
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine

2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine (PubChem CID 10104394) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine
PubChem CID10104394
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine
SMILESCN1CCCC1c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO2/c1-13-6-2-3-10(13)9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyYIDSRQHYMDXMGU-UHFFFAOYSA-N
XLogP2.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine (CID 10104394) is 2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine is CN1CCCC1c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine?
The InChIKey is YIDSRQHYMDXMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-6-2-3-10(13)9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine?
2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine has a molecular weight of 205.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-1-methylpyrrolidine is sourced from PubChem (CID 10104394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).