1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole

C13H22N2 — CID 82492295

IUPAC1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole
SMILESCCn1c(C)cc(CC2CCCN2)c1C
InChIInChI=1S/C13H22N2/c1-4-15-10(2)8-12(11(15)3)9-13-6-5-7-14-13/h8,13-14H,4-7,9H2,1-3H3
InChIKeySOFDKNUCSQJERH-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.42
Rot. Bonds3

About 1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole

1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole (PubChem CID 82492295) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole.

Molecular Properties

Compound Name1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole
PubChem CID82492295
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole
SMILESCCn1c(C)cc(CC2CCCN2)c1C
InChIInChI=1S/C13H22N2/c1-4-15-10(2)8-12(11(15)3)9-13-6-5-7-14-13/h8,13-14H,4-7,9H2,1-3H3
InChIKeySOFDKNUCSQJERH-UHFFFAOYSA-N
XLogP2.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine
CID 82494193
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
CID 82600329
2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117313107
2-[(4,5-dimethyl-2-methylsulfanylphenyl)methyl]pyrrolidine
CID 117343802
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine
CID 84808304
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole?
The IUPAC name of 1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole (CID 82492295) is 1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole.
What is the SMILES notation for 1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole?
The canonical SMILES for 1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole is CCn1c(C)cc(CC2CCCN2)c1C.
What is the InChIKey of 1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole?
The InChIKey is SOFDKNUCSQJERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15-10(2)8-12(11(15)3)9-13-6-5-7-14-13/h8,13-14H,4-7,9H2,1-3H3.
What are the key properties of 1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole?
1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole has a molecular weight of 206.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole is sourced from PubChem (CID 82492295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).