2-but-3-enyl-1-propylpyrrolidine

C11H21N — CID 155306373

IUPAC2-but-3-enyl-1-propylpyrrolidine
SMILESC=CCCC1CCCN1CCC
InChIInChI=1S/C11H21N/c1-3-5-7-11-8-6-10-12(11)9-4-2/h3,11H,1,4-10H2,2H3
InChIKeyDTLPDVJTLZXJFF-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds5

About 2-but-3-enyl-1-propylpyrrolidine

2-but-3-enyl-1-propylpyrrolidine (PubChem CID 155306373) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-but-3-enyl-1-propylpyrrolidine.

Molecular Properties

Compound Name2-but-3-enyl-1-propylpyrrolidine
PubChem CID155306373
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-but-3-enyl-1-propylpyrrolidine
SMILESC=CCCC1CCCN1CCC
InChIInChI=1S/C11H21N/c1-3-5-7-11-8-6-10-12(11)9-4-2/h3,11H,1,4-10H2,2H3
InChIKeyDTLPDVJTLZXJFF-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
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

2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
2-ethenyl-1-propylpiperidine
CID 13181247
1-ethyl-2-prop-2-enylpyrrolidine
CID 11829524
(2S)-2-heptyl-1-prop-2-enylpyrrolidine
CID 134905435
1-[(1-propylpyrrolidin-2-yl)methyl]piperidine
CID 15626361
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine
CID 107008070
2-(1-hept-6-enylpiperidin-2-yl)ethanol
CID 107010082
3-but-3-enyl-1-methylpiperidine
CID 55275631
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-1-propylpyrrolidine?
The IUPAC name of 2-but-3-enyl-1-propylpyrrolidine (CID 155306373) is 2-but-3-enyl-1-propylpyrrolidine.
What is the SMILES notation for 2-but-3-enyl-1-propylpyrrolidine?
The canonical SMILES for 2-but-3-enyl-1-propylpyrrolidine is C=CCCC1CCCN1CCC.
What is the InChIKey of 2-but-3-enyl-1-propylpyrrolidine?
The InChIKey is DTLPDVJTLZXJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-5-7-11-8-6-10-12(11)9-4-2/h3,11H,1,4-10H2,2H3.
What are the key properties of 2-but-3-enyl-1-propylpyrrolidine?
2-but-3-enyl-1-propylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-1-propylpyrrolidine is sourced from PubChem (CID 155306373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).