1-prop-2-enylpyrrolidine;hydrochloride

C7H14ClN — CID 69329723

IUPAC1-prop-2-enylpyrrolidine;hydrochloride
SMILESC=CCN1CCCC1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-5-8-6-3-4-7-8;/h2H,1,3-7H2;1H
InChIKeyYKKPAIOJKDBYNV-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.69
Rot. Bonds2

About 1-prop-2-enylpyrrolidine;hydrochloride

1-prop-2-enylpyrrolidine;hydrochloride (PubChem CID 69329723) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 1-prop-2-enylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-prop-2-enylpyrrolidine;hydrochloride
PubChem CID69329723
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name1-prop-2-enylpyrrolidine;hydrochloride
SMILESC=CCN1CCCC1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-5-8-6-3-4-7-8;/h2H,1,3-7H2;1H
InChIKeyYKKPAIOJKDBYNV-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.69
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

Pyrrolidine, 1-(2-propenyl)-
CID 558434
Crotylpyrrolidine
CID 558582
N,N-diallylpyrrolidinium bromide
CID 15812374
1-Allyl-1-methylpyrrolidinium chloride
CID 20062952
1-Buta-2,3-dienylpyrrolidine
CID 57191198
1-[(2z)-3-Chloroprop-2-en-1-yl] pyrrolidine
CID 88189110
1-(1-Fluoroprop-2-enyl)pyrrolidine
CID 68636995
2-Fluoro-1-prop-2-enylpyrrolidine
CID 68636996
1-(3-Fluoroprop-2-enyl)pyrrolidine
CID 68636999
1-But-2-enylpyrrolidine
CID 5367873
1,1-Bis(prop-2-enyl)pyrrolidin-1-ium chloride
CID 21946570
Lithium 1-prop-2-enylpyrrolidin-5-ide
CID 135048603

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpyrrolidine;hydrochloride?
The IUPAC name of 1-prop-2-enylpyrrolidine;hydrochloride (CID 69329723) is 1-prop-2-enylpyrrolidine;hydrochloride.
What is the SMILES notation for 1-prop-2-enylpyrrolidine;hydrochloride?
The canonical SMILES for 1-prop-2-enylpyrrolidine;hydrochloride is C=CCN1CCCC1.Cl.
What is the InChIKey of 1-prop-2-enylpyrrolidine;hydrochloride?
The InChIKey is YKKPAIOJKDBYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-2-5-8-6-3-4-7-8;/h2H,1,3-7H2;1H.
What are the key properties of 1-prop-2-enylpyrrolidine;hydrochloride?
1-prop-2-enylpyrrolidine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyrrolidine;hydrochloride is sourced from PubChem (CID 69329723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).