2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine

C17H24N2O2 — CID 120899896

IUPAC2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
SMILESCC1(CN2CCCC2c2ccc3c(c2)OCO3)CCNC1
InChIInChI=1S/C17H24N2O2/c1-17(6-7-18-10-17)11-19-8-2-3-14(19)13-4-5-15-16(9-13)21-12-20-15/h4-5,9,14,18H,2-3,6-8,10-12H2,1H3
InChIKeyULIXZFWFIBEWKT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.55
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine

2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine (PubChem CID 120899896) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
PubChem CID120899896
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
SMILESCC1(CN2CCCC2c2ccc3c(c2)OCO3)CCNC1
InChIInChI=1S/C17H24N2O2/c1-17(6-7-18-10-17)11-19-8-2-3-14(19)13-4-5-15-16(9-13)21-12-20-15/h4-5,9,14,18H,2-3,6-8,10-12H2,1H3
InChIKeyULIXZFWFIBEWKT-UHFFFAOYSA-N
XLogP2.55
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)pyrrolidine
CID 120900015
1-[(3-methylpyrrolidin-3-yl)methyl]-2-pyridin-4-ylazepane
CID 120897267
1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride
CID 120897555
(2S)-2-(1,3-benzodioxol-5-yl)-1-(2-tert-butylsulfanylethyl)pyrrolidine
CID 100751209
3-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981524
2-cyclopentyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899104
3-[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95300893
2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899076
2-(1,3-benzodioxol-5-yl)-1-methylpiperazine
CID 70977935
2-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899808
6-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-1H-indazole
CID 127720385
1-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119773302

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine (CID 120899896) is 2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine is CC1(CN2CCCC2c2ccc3c(c2)OCO3)CCNC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The InChIKey is ULIXZFWFIBEWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(6-7-18-10-17)11-19-8-2-3-14(19)13-4-5-15-16(9-13)21-12-20-15/h4-5,9,14,18H,2-3,6-8,10-12H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine?
2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine has a molecular weight of 288.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 120899896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).