3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine

C16H23NO2 — CID 62763290

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1NCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23NO2/c1-11(2)9-14-13(5-6-17-14)12-3-4-15-16(10-12)19-8-7-18-15/h3-4,10-11,13-14,17H,5-9H2,1-2H3
InChIKeyYSKRFUOOHNMYNU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.95
Rot. Bonds3

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 62763290) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine
PubChem CID62763290
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1NCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23NO2/c1-11(2)9-14-13(5-6-17-14)12-3-4-15-16(10-12)19-8-7-18-15/h3-4,10-11,13-14,17H,5-9H2,1-2H3
InChIKeyYSKRFUOOHNMYNU-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine
CID 61251441
4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine
CID 79320311
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol
CID 81416194
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-amine
CID 81416353
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethylpyrrolidin-2-one
CID 66106342
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine
CID 62801783
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine
CID 66328132
3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine
CID 82281355
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-oxazepane
CID 83188382
N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine
CID 81017961

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine (CID 62763290) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine is CC(C)CC1NCCC1c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is YSKRFUOOHNMYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)9-14-13(5-6-17-14)12-3-4-15-16(10-12)19-8-7-18-15/h3-4,10-11,13-14,17H,5-9H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 261.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 62763290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).