1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole

C13H22N2 — CID 177054040

IUPAC1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole
SMILESC=CC1=NC(C)C=C1.CC1CCN(C)C1
InChIInChI=1S/C7H9N.C6H13N/c1-3-7-5-4-6(2)8-7;1-6-3-4-7(2)5-6/h3-6H,1H2,2H3;6H,3-5H2,1-2H3
InChIKeyCLJRLIFANVTAAH-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.53
Rot. Bonds1

About 1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole

1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole (PubChem CID 177054040) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole.

Molecular Properties

Compound Name1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole
PubChem CID177054040
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole
SMILESC=CC1=NC(C)C=C1.CC1CCN(C)C1
InChIInChI=1S/C7H9N.C6H13N/c1-3-7-5-4-6(2)8-7;1-6-3-4-7(2)5-6/h3-6H,1H2,2H3;6H,3-5H2,1-2H3
InChIKeyCLJRLIFANVTAAH-UHFFFAOYSA-N
XLogP2.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
(3R)-1,3-dimethylpyrrolidine
CID 58412242
1,3-dimethylpyrrolidine;propan-2-ol
CID 166075610
(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
CID 159420555
(3S)-3-ethenyl-1-methylpyrrolidine
CID 134577901
(3R)-1,3-dimethylpyrrolidine;methoxyethane
CID 168995802
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine
CID 143564879
(3S)-1,3-dimethylpyrrolidine;ethane;7-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanal
CID 145076534
1,5,8,11-tetramethyl-1,5-diazacyclotridecane
CID 10610105
ethane;1,3,4-trimethylpiperidine
CID 142222872

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole?
The IUPAC name of 1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole (CID 177054040) is 1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole.
What is the SMILES notation for 1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole?
The canonical SMILES for 1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole is C=CC1=NC(C)C=C1.CC1CCN(C)C1.
What is the InChIKey of 1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole?
The InChIKey is CLJRLIFANVTAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C6H13N/c1-3-7-5-4-6(2)8-7;1-6-3-4-7(2)5-6/h3-6H,1H2,2H3;6H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole?
1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole has a molecular weight of 206.33 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole is sourced from PubChem (CID 177054040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).