2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole

C11H18N2 — CID 91471365

IUPAC2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole
SMILESCC1(CCN2CCCC2)C=CC=N1
InChIInChI=1S/C11H18N2/c1-11(5-4-7-12-11)6-10-13-8-2-3-9-13/h4-5,7H,2-3,6,8-10H2,1H3
InChIKeyZHBQFQBTLWXOHG-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.87
Rot. Bonds3

About 2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole

2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole (PubChem CID 91471365) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole.

Molecular Properties

Compound Name2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole
PubChem CID91471365
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole
SMILESCC1(CCN2CCCC2)C=CC=N1
InChIInChI=1S/C11H18N2/c1-11(5-4-7-12-11)6-10-13-8-2-3-9-13/h4-5,7H,2-3,6,8-10H2,1H3
InChIKeyZHBQFQBTLWXOHG-UHFFFAOYSA-N
XLogP1.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,2-trimethyl-1,2,3,4-tetrahydropyridin-4-ylidene)pyrrolidin-1-ium iodide
CID 146657854
N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine
CID 91081982
N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine
CID 91365768
2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine
CID 146657807
1,3-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole
CID 177054040
1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium
CID 146657855
3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole
CID 157987538

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole?
The IUPAC name of 2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole (CID 91471365) is 2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole.
What is the SMILES notation for 2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole?
The canonical SMILES for 2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole is CC1(CCN2CCCC2)C=CC=N1.
What is the InChIKey of 2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole?
The InChIKey is ZHBQFQBTLWXOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(5-4-7-12-11)6-10-13-8-2-3-9-13/h4-5,7H,2-3,6,8-10H2,1H3.
What are the key properties of 2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole?
2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole has a molecular weight of 178.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole is sourced from PubChem (CID 91471365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).