3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole

C10H16N2 — CID 174722909

IUPAC3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole
SMILESc1cc(CCN2CCCC2)c[nH]1
InChIInChI=1S/C10H16N2/c1-2-7-12(6-1)8-4-10-3-5-11-9-10/h3,5,9,11H,1-2,4,6-8H2
InChIKeyONDULIDMTCOAQR-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.65
Rot. Bonds3

About 3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole

3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole (PubChem CID 174722909) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole
PubChem CID174722909
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole
SMILESc1cc(CCN2CCCC2)c[nH]1
InChIInChI=1S/C10H16N2/c1-2-7-12(6-1)8-4-10-3-5-11-9-10/h3,5,9,11H,1-2,4,6-8H2
InChIKeyONDULIDMTCOAQR-UHFFFAOYSA-N
XLogP1.65
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole?
The IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole (CID 174722909) is 3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole is c1cc(CCN2CCCC2)c[nH]1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole?
The InChIKey is ONDULIDMTCOAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-7-12(6-1)8-4-10-3-5-11-9-10/h3,5,9,11H,1-2,4,6-8H2.
What are the key properties of 3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole?
3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole has a molecular weight of 164.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole is sourced from PubChem (CID 174722909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).