2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine

C13H17NO2 — CID 117312549

IUPAC2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine
SMILESCc1cc(C2(C)CCCN2)cc2c1OCO2
InChIInChI=1S/C13H17NO2/c1-9-6-10(13(2)4-3-5-14-13)7-11-12(9)16-8-15-11/h6-7,14H,3-5,8H2,1-2H3
InChIKeyRMHZUSLBSLDMFO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.32
Rot. Bonds1

About 2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine

2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine (PubChem CID 117312549) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine
PubChem CID117312549
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine
SMILESCc1cc(C2(C)CCCN2)cc2c1OCO2
InChIInChI=1S/C13H17NO2/c1-9-6-10(13(2)4-3-5-14-13)7-11-12(9)16-8-15-11/h6-7,14H,3-5,8H2,1-2H3
InChIKeyRMHZUSLBSLDMFO-UHFFFAOYSA-N
XLogP2.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine
CID 117351983
2-(6-chloro-4-methyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117387308
2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117423009
2-(3-chloro-5-methylphenyl)-2-methylpyrrolidine
CID 117299720
2-(6-bromo-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117456976
2-(3-fluoro-5-methylphenyl)-2-methylazepane
CID 79704728
2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725
6-(1-isocyanatocyclopropyl)-4-methyl-1,3-benzodioxole
CID 117309059
2-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117423010
2-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]-2-methylpyrrolidine
CID 117376091
2-(furan-3-yl)-2-methylpyrrolidine
CID 66465313
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine?
The IUPAC name of 2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine (CID 117312549) is 2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine.
What is the SMILES notation for 2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine?
The canonical SMILES for 2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine is Cc1cc(C2(C)CCCN2)cc2c1OCO2.
What is the InChIKey of 2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine?
The InChIKey is RMHZUSLBSLDMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-6-10(13(2)4-3-5-14-13)7-11-12(9)16-8-15-11/h6-7,14H,3-5,8H2,1-2H3.
What are the key properties of 2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine?
2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine has a molecular weight of 219.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidine is sourced from PubChem (CID 117312549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).