3-but-1-enylpyrrolidine

C8H15N — CID 54030286

IUPAC3-but-1-enylpyrrolidine
SMILESCCC=CC1CCNC1
InChIInChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h3-4,8-9H,2,5-7H2,1H3
InChIKeyKKRORPYFZIYKTJ-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.56
Rot. Bonds2

About 3-but-1-enylpyrrolidine

3-but-1-enylpyrrolidine (PubChem CID 54030286) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-but-1-enylpyrrolidine.

Molecular Properties

Compound Name3-but-1-enylpyrrolidine
PubChem CID54030286
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-but-1-enylpyrrolidine
SMILESCCC=CC1CCNC1
InChIInChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h3-4,8-9H,2,5-7H2,1H3
InChIKeyKKRORPYFZIYKTJ-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-but-1-enyl]piperidine
CID 22015652
3-[(Z)-but-1-enyl]azetidine
CID 126845384
3-[(E)-prop-1-enyl]pyrrolidine
CID 87940337
3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride
CID 126845234
ethyl 3-pyrrolidin-3-ylprop-2-enoate
CID 54435450
[(E)-but-1-enyl]cyclodecane
CID 173272598
(E)-3-pyrrolidin-3-ylprop-2-enal
CID 115011111
(Z)-4-piperidin-3-ylbut-3-enal
CID 117267528
(3R)-3-ethenylpyrrolidine
CID 641531
4-[(E)-but-1-enyl]cyclohexan-1-ol
CID 19739340
3-[(E)-3-methylbut-1-enyl]piperidine
CID 126845322
ethane;3-ethylpyrrolidine
CID 143803201

Frequently Asked Questions

What is the IUPAC name of 3-but-1-enylpyrrolidine?
The IUPAC name of 3-but-1-enylpyrrolidine (CID 54030286) is 3-but-1-enylpyrrolidine.
What is the SMILES notation for 3-but-1-enylpyrrolidine?
The canonical SMILES for 3-but-1-enylpyrrolidine is CCC=CC1CCNC1.
What is the InChIKey of 3-but-1-enylpyrrolidine?
The InChIKey is KKRORPYFZIYKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h3-4,8-9H,2,5-7H2,1H3.
What are the key properties of 3-but-1-enylpyrrolidine?
3-but-1-enylpyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-enylpyrrolidine is sourced from PubChem (CID 54030286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).