2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole

C8H14N2 — CID 55287030

IUPAC2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole
SMILESC1=CC(C2CCCN2)NC1
InChIInChI=1S/C8H14N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1,3,7-10H,2,4-6H2
InChIKeyDIQSWCISNGCRFN-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.27
Rot. Bonds1

About 2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole

2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole (PubChem CID 55287030) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole
PubChem CID55287030
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole
SMILESC1=CC(C2CCCN2)NC1
InChIInChI=1S/C8H14N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1,3,7-10H,2,4-6H2
InChIKeyDIQSWCISNGCRFN-UHFFFAOYSA-N
XLogP0.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole (CID 55287030) is 2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole is C1=CC(C2CCCN2)NC1.
What is the InChIKey of 2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole?
The InChIKey is DIQSWCISNGCRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1,3,7-10H,2,4-6H2.
What are the key properties of 2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole?
2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole has a molecular weight of 138.21 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 55287030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).