3-propylidenepyrrolidine

C7H13N — CID 79875565

IUPAC3-propylidenepyrrolidine
SMILESCCC=C1CCNC1
InChIInChI=1S/C7H13N/c1-2-3-7-4-5-8-6-7/h3,8H,2,4-6H2,1H3
InChIKeyZSIXFAYVZOLAHC-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.32
Rot. Bonds1

About 3-propylidenepyrrolidine

3-propylidenepyrrolidine (PubChem CID 79875565) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-propylidenepyrrolidine.

Molecular Properties

Compound Name3-propylidenepyrrolidine
PubChem CID79875565
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-propylidenepyrrolidine
SMILESCCC=C1CCNC1
InChIInChI=1S/C7H13N/c1-2-3-7-4-5-8-6-7/h3,8H,2,4-6H2,1H3
InChIKeyZSIXFAYVZOLAHC-UHFFFAOYSA-N
XLogP1.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-propylidenepyrrolidine?
The IUPAC name of 3-propylidenepyrrolidine (CID 79875565) is 3-propylidenepyrrolidine.
What is the SMILES notation for 3-propylidenepyrrolidine?
The canonical SMILES for 3-propylidenepyrrolidine is CCC=C1CCNC1.
What is the InChIKey of 3-propylidenepyrrolidine?
The InChIKey is ZSIXFAYVZOLAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-3-7-4-5-8-6-7/h3,8H,2,4-6H2,1H3.
What are the key properties of 3-propylidenepyrrolidine?
3-propylidenepyrrolidine has a molecular weight of 111.19 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylidenepyrrolidine is sourced from PubChem (CID 79875565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).