4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole

C8H14N2 — CID 90893131

IUPAC4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole
SMILESC1=NCCC1C1CCCN1
InChIInChI=1S/C8H14N2/c1-2-8(10-4-1)7-3-5-9-6-7/h6-8,10H,1-5H2
InChIKeyLOKKJJIULPUGRJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.83
Rot. Bonds1

About 4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole

4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 90893131) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole
PubChem CID90893131
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole
SMILESC1=NCCC1C1CCCN1
InChIInChI=1S/C8H14N2/c1-2-8(10-4-1)7-3-5-9-6-7/h6-8,10H,1-5H2
InChIKeyLOKKJJIULPUGRJ-UHFFFAOYSA-N
XLogP0.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole (CID 90893131) is 4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole is C1=NCCC1C1CCCN1.
What is the InChIKey of 4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is LOKKJJIULPUGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-8(10-4-1)7-3-5-9-6-7/h6-8,10H,1-5H2.
What are the key properties of 4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole?
4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 138.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 90893131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).