3-prop-2-enylpyrrolidine;hydrochloride

C7H14ClN — CID 134690951

IUPAC3-prop-2-enylpyrrolidine;hydrochloride
SMILESC=CCC1CCNC1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-3-7-4-5-8-6-7;/h2,7-8H,1,3-6H2;1H
InChIKeyUZZPFEFKZDUTJK-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.59
Rot. Bonds2

About 3-prop-2-enylpyrrolidine;hydrochloride

3-prop-2-enylpyrrolidine;hydrochloride (PubChem CID 134690951) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 3-prop-2-enylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-prop-2-enylpyrrolidine;hydrochloride
PubChem CID134690951
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name3-prop-2-enylpyrrolidine;hydrochloride
SMILESC=CCC1CCNC1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-3-7-4-5-8-6-7;/h2,7-8H,1,3-6H2;1H
InChIKeyUZZPFEFKZDUTJK-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.59
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

3-Vinylpyrrolidine
CID 14815780
4-Ethenylpiperidine hydrochloride
CID 54592711
3-Ethenylpyrrolidine hydrochloride
CID 126845677
3,4-Pyrrolidinediylethylene
CID 121255159
3-(Prop-2-en-1-yl)pyrrolidine
CID 53417317
3-Ethenyl-4-fluoropyrrolidine
CID 67453064
(3S)-3-fluoro-3-prop-2-enylpyrrolidine
CID 89317965
4-Allyl-3,3-difluoropyrrolidine
CID 130916482
(3S,4S)-3-ethenyl-4-fluoropyrrolidine
CID 141285766
(3R,4R)-3-ethenyl-4-fluoropyrrolidine
CID 141308411
(3S,4R)-3-ethenyl-4-fluoropyrrolidine
CID 169587120
(3R)-3-ethenylpyrrolidine
CID 641531

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylpyrrolidine;hydrochloride?
The IUPAC name of 3-prop-2-enylpyrrolidine;hydrochloride (CID 134690951) is 3-prop-2-enylpyrrolidine;hydrochloride.
What is the SMILES notation for 3-prop-2-enylpyrrolidine;hydrochloride?
The canonical SMILES for 3-prop-2-enylpyrrolidine;hydrochloride is C=CCC1CCNC1.Cl.
What is the InChIKey of 3-prop-2-enylpyrrolidine;hydrochloride?
The InChIKey is UZZPFEFKZDUTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-2-3-7-4-5-8-6-7;/h2,7-8H,1,3-6H2;1H.
What are the key properties of 3-prop-2-enylpyrrolidine;hydrochloride?
3-prop-2-enylpyrrolidine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylpyrrolidine;hydrochloride is sourced from PubChem (CID 134690951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).