5-pyrrolidin-2-yl-2H-pyrrole

C8H12N2 — CID 142786755

IUPAC5-pyrrolidin-2-yl-2H-pyrrole
SMILESC1=CC(C2CCCN2)=NC1
InChIInChI=1S/C8H12N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1,3,8,10H,2,4-6H2
InChIKeyAYJSTRJZQZUBCL-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.75
Rot. Bonds1

About 5-pyrrolidin-2-yl-2H-pyrrole

5-pyrrolidin-2-yl-2H-pyrrole (PubChem CID 142786755) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-2H-pyrrole.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-2H-pyrrole
PubChem CID142786755
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-pyrrolidin-2-yl-2H-pyrrole
SMILESC1=CC(C2CCCN2)=NC1
InChIInChI=1S/C8H12N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1,3,8,10H,2,4-6H2
InChIKeyAYJSTRJZQZUBCL-UHFFFAOYSA-N
XLogP0.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylmethylidene)pyrrolidine
CID 60077816
2-(Pyrrolidin-2-ylidenemethyl)-1-Pyrroline
CID 60077817
5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole
CID 68988836
2-pyrrolidin-2-yl-2H-pyrrole
CID 91545171
1,2,6,7,8,8a-Hexahydro-1,5-naphthyridine
CID 91801931
(6Z)-6-ethylidene-N-methyl-4-pyrrolidin-2-ylcyclohexa-2,4-dien-1-imine
CID 145012016
5-methyl-4-pyrrolidin-3-yl-2H-pyrrole
CID 158880750
2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine
CID 6389249
5-[(Z)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole
CID 21305976
1-Pyrrolidin-2-ylprop-2-en-1-imine
CID 142075743

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-2H-pyrrole?
The IUPAC name of 5-pyrrolidin-2-yl-2H-pyrrole (CID 142786755) is 5-pyrrolidin-2-yl-2H-pyrrole.
What is the SMILES notation for 5-pyrrolidin-2-yl-2H-pyrrole?
The canonical SMILES for 5-pyrrolidin-2-yl-2H-pyrrole is C1=CC(C2CCCN2)=NC1.
What is the InChIKey of 5-pyrrolidin-2-yl-2H-pyrrole?
The InChIKey is AYJSTRJZQZUBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1,3,8,10H,2,4-6H2.
What are the key properties of 5-pyrrolidin-2-yl-2H-pyrrole?
5-pyrrolidin-2-yl-2H-pyrrole has a molecular weight of 136.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-2H-pyrrole is sourced from PubChem (CID 142786755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).