1-dodecyl-2-ethenylpyrrolidine

C18H35N — CID 5143353

IUPAC1-dodecyl-2-ethenylpyrrolidine
SMILESC=CC1CCCN1CCCCCCCCCCCC
InChIInChI=1S/C18H35N/c1-3-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(19)4-2/h4,18H,2-3,5-17H2,1H3
InChIKeyDWLUEACCYPOXHE-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.56
Rot. Bonds12

About 1-dodecyl-2-ethenylpyrrolidine

1-dodecyl-2-ethenylpyrrolidine (PubChem CID 5143353) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1-dodecyl-2-ethenylpyrrolidine.

Molecular Properties

Compound Name1-dodecyl-2-ethenylpyrrolidine
PubChem CID5143353
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1-dodecyl-2-ethenylpyrrolidine
SMILESC=CC1CCCN1CCCCCCCCCCCC
InChIInChI=1S/C18H35N/c1-3-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(19)4-2/h4,18H,2-3,5-17H2,1H3
InChIKeyDWLUEACCYPOXHE-UHFFFAOYSA-N
XLogP5.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-ethenylpyrrolidine
CID 11332575
1-hexylpiperidine-2-carbaldehyde
CID 62655866
1-heptylpiperidine-2-carbaldehyde
CID 62655864
2-ethenyl-1-propylpiperidine
CID 13181247
ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine
CID 156885523
2-ethyl-1-undecylpyrrolidine
CID 171569857
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide
CID 156885488

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-ethenylpyrrolidine?
The IUPAC name of 1-dodecyl-2-ethenylpyrrolidine (CID 5143353) is 1-dodecyl-2-ethenylpyrrolidine.
What is the SMILES notation for 1-dodecyl-2-ethenylpyrrolidine?
The canonical SMILES for 1-dodecyl-2-ethenylpyrrolidine is C=CC1CCCN1CCCCCCCCCCCC.
What is the InChIKey of 1-dodecyl-2-ethenylpyrrolidine?
The InChIKey is DWLUEACCYPOXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-3-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(19)4-2/h4,18H,2-3,5-17H2,1H3.
What are the key properties of 1-dodecyl-2-ethenylpyrrolidine?
1-dodecyl-2-ethenylpyrrolidine has a molecular weight of 265.48 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-ethenylpyrrolidine is sourced from PubChem (CID 5143353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).