1-butyl-2-ethenylpyrrolidine

C10H19N — CID 11332575

IUPAC1-butyl-2-ethenylpyrrolidine
SMILESC=CC1CCCN1CCCC
InChIInChI=1S/C10H19N/c1-3-5-8-11-9-6-7-10(11)4-2/h4,10H,2-3,5-9H2,1H3
InChIKeyVSPRONCWCLRTHR-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.44
Rot. Bonds4

About 1-butyl-2-ethenylpyrrolidine

1-butyl-2-ethenylpyrrolidine (PubChem CID 11332575) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-butyl-2-ethenylpyrrolidine.

Molecular Properties

Compound Name1-butyl-2-ethenylpyrrolidine
PubChem CID11332575
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-butyl-2-ethenylpyrrolidine
SMILESC=CC1CCCN1CCCC
InChIInChI=1S/C10H19N/c1-3-5-8-11-9-6-7-10(11)4-2/h4,10H,2-3,5-9H2,1H3
InChIKeyVSPRONCWCLRTHR-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.44
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-dodecyl-2-ethenylpyrrolidine
CID 5143353
2-ethenyl-1-propylpiperidine
CID 13181247
ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine
CID 156885523
(2S)-2-ethenyl-1-methylpyrrolidine;propane
CID 172577719
1-hexylpiperidine-2-carbaldehyde
CID 62655866
1-heptylpiperidine-2-carbaldehyde
CID 62655864
1-butylpyrrolidin-2-amine
CID 152748191
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide
CID 156885488
(2S,3R)-1-butyl-3-chloro-2-methylpiperidine
CID 10965290
1-butyl-3-chloro-2-methylpiperidine
CID 85348788
(2R,3R)-1-butyl-3-chloro-2-methylpiperidine
CID 10997802

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethenylpyrrolidine?
The IUPAC name of 1-butyl-2-ethenylpyrrolidine (CID 11332575) is 1-butyl-2-ethenylpyrrolidine.
What is the SMILES notation for 1-butyl-2-ethenylpyrrolidine?
The canonical SMILES for 1-butyl-2-ethenylpyrrolidine is C=CC1CCCN1CCCC.
What is the InChIKey of 1-butyl-2-ethenylpyrrolidine?
The InChIKey is VSPRONCWCLRTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-5-8-11-9-6-7-10(11)4-2/h4,10H,2-3,5-9H2,1H3.
What are the key properties of 1-butyl-2-ethenylpyrrolidine?
1-butyl-2-ethenylpyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethenylpyrrolidine is sourced from PubChem (CID 11332575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).