3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole

C8H14N2 — CID 173151824

IUPAC3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole
SMILESC1=C(C2CCNC2)CNC1
InChIInChI=1S/C8H14N2/c1-3-9-5-7(1)8-2-4-10-6-8/h1,8-10H,2-6H2
InChIKeyDQNOTEJJPVVBMQ-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.13
Rot. Bonds1

About 3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole

3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole (PubChem CID 173151824) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole
PubChem CID173151824
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole
SMILESC1=C(C2CCNC2)CNC1
InChIInChI=1S/C8H14N2/c1-3-9-5-7(1)8-2-4-10-6-8/h1,8-10H,2-6H2
InChIKeyDQNOTEJJPVVBMQ-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
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 3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole (CID 173151824) is 3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole is C1=C(C2CCNC2)CNC1.
What is the InChIKey of 3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole?
The InChIKey is DQNOTEJJPVVBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-9-5-7(1)8-2-4-10-6-8/h1,8-10H,2-6H2.
What are the key properties of 3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole?
3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole has a molecular weight of 138.21 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 173151824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).