1-but-3-en-2-yl-3-ethylpyrrolidine

C10H19N — CID 130978482

IUPAC1-but-3-en-2-yl-3-ethylpyrrolidine
SMILESC=CC(C)N1CCC(CC)C1
InChIInChI=1S/C10H19N/c1-4-9(3)11-7-6-10(5-2)8-11/h4,9-10H,1,5-8H2,2-3H3
InChIKeyVFDBMOYYMXBMLZ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds3

About 1-but-3-en-2-yl-3-ethylpyrrolidine

1-but-3-en-2-yl-3-ethylpyrrolidine (PubChem CID 130978482) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-but-3-en-2-yl-3-ethylpyrrolidine.

Molecular Properties

Compound Name1-but-3-en-2-yl-3-ethylpyrrolidine
PubChem CID130978482
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-but-3-en-2-yl-3-ethylpyrrolidine
SMILESC=CC(C)N1CCC(CC)C1
InChIInChI=1S/C10H19N/c1-4-9(3)11-7-6-10(5-2)8-11/h4,9-10H,1,5-8H2,2-3H3
InChIKeyVFDBMOYYMXBMLZ-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride
CID 130718922
1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol
CID 112628254
2-(3-ethylpyrrolidin-1-yl)-N-methylpropanamide
CID 126990123
3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
CID 177228245
5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol
CID 107708196
3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 104711134
(3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine
CID 166764327
1-but-3-en-2-yl-4-methylazepane
CID 131042080
(3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol
CID 79419761
N-ethenyl-3-ethyl-N-methylpyrrolidin-1-amine
CID 154972992
tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate
CID 115688615
3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol
CID 104840510

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-3-ethylpyrrolidine?
The IUPAC name of 1-but-3-en-2-yl-3-ethylpyrrolidine (CID 130978482) is 1-but-3-en-2-yl-3-ethylpyrrolidine.
What is the SMILES notation for 1-but-3-en-2-yl-3-ethylpyrrolidine?
The canonical SMILES for 1-but-3-en-2-yl-3-ethylpyrrolidine is C=CC(C)N1CCC(CC)C1.
What is the InChIKey of 1-but-3-en-2-yl-3-ethylpyrrolidine?
The InChIKey is VFDBMOYYMXBMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-9(3)11-7-6-10(5-2)8-11/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 1-but-3-en-2-yl-3-ethylpyrrolidine?
1-but-3-en-2-yl-3-ethylpyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-3-ethylpyrrolidine is sourced from PubChem (CID 130978482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).