2-but-3-enylpyrrolidine

C8H15N — CID 13350948

IUPAC2-but-3-enylpyrrolidine
SMILESC=CCCC1CCCN1
InChIInChI=1S/C8H15N/c1-2-3-5-8-6-4-7-9-8/h2,8-9H,1,3-7H2
InChIKeyQQRYNYNYNMYJOU-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.70
Rot. Bonds3

About 2-but-3-enylpyrrolidine

2-but-3-enylpyrrolidine (PubChem CID 13350948) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 2-but-3-enylpyrrolidine.

Molecular Properties

Compound Name2-but-3-enylpyrrolidine
PubChem CID13350948
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name2-but-3-enylpyrrolidine
SMILESC=CCCC1CCCN1
InChIInChI=1S/C8H15N/c1-2-3-5-8-6-4-7-9-8/h2,8-9H,1,3-7H2
InChIKeyQQRYNYNYNMYJOU-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.70
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 2-but-3-enylpyrrolidine?
The IUPAC name of 2-but-3-enylpyrrolidine (CID 13350948) is 2-but-3-enylpyrrolidine.
What is the SMILES notation for 2-but-3-enylpyrrolidine?
The canonical SMILES for 2-but-3-enylpyrrolidine is C=CCCC1CCCN1.
What is the InChIKey of 2-but-3-enylpyrrolidine?
The InChIKey is QQRYNYNYNMYJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-5-8-6-4-7-9-8/h2,8-9H,1,3-7H2.
What are the key properties of 2-but-3-enylpyrrolidine?
2-but-3-enylpyrrolidine has a molecular weight of 125.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enylpyrrolidine is sourced from PubChem (CID 13350948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).