3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride

C7H14ClN — CID 126845234

IUPAC3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride
SMILESC/C=C/C1CCNC1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-3-7-4-5-8-6-7;/h2-3,7-8H,4-6H2,1H3;1H/b3-2+;
InChIKeyCKCSAFGAOGAHGA-SQQVDAMQSA-N
MW147.65 g/mol
LogP1.59
Rot. Bonds1

About 3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride

3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride (PubChem CID 126845234) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride
PubChem CID126845234
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride
SMILESC/C=C/C1CCNC1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-3-7-4-5-8-6-7;/h2-3,7-8H,4-6H2,1H3;1H/b3-2+;
InChIKeyCKCSAFGAOGAHGA-SQQVDAMQSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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-[(E)-prop-1-enyl]pyrrolidine
CID 87940337
3-but-1-enylpyrrolidine
CID 54030286
(E)-3-pyrrolidin-3-ylprop-2-enal
CID 115011111
(3R)-3-ethenylpyrrolidine
CID 641531
4-penta-1,3-dienylpiperidine
CID 142547890
5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride
CID 131986793
ethyl 3-pyrrolidin-3-ylprop-2-enoate
CID 54435450
3-[(E)-3-methylbut-1-enyl]piperidine
CID 126845322
5-(2-pyrrolidin-3-ylethenyl)pyrimidine
CID 66633165
2-piperidin-3-ylethenol
CID 143898593
3-but-2-enylpyrrolidine
CID 54482809
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride?
The IUPAC name of 3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride (CID 126845234) is 3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride is C/C=C/C1CCNC1.Cl.
What is the InChIKey of 3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride?
The InChIKey is CKCSAFGAOGAHGA-SQQVDAMQSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-2-3-7-4-5-8-6-7;/h2-3,7-8H,4-6H2,1H3;1H/b3-2+;.
What are the key properties of 3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride?
3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 126845234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).