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

C7H13N — CID 87940337

IUPAC3-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/C1CCNC1
InChIInChI=1S/C7H13N/c1-2-3-7-4-5-8-6-7/h2-3,7-8H,4-6H2,1H3/b3-2+
InChIKeyUZVGOAGGPJVBKB-NSCUHMNNSA-N
MW111.19 g/mol
LogP1.17
Rot. Bonds1

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

3-[(E)-prop-1-enyl]pyrrolidine (PubChem CID 87940337) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]pyrrolidine
PubChem CID87940337
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/C1CCNC1
InChIInChI=1S/C7H13N/c1-2-3-7-4-5-8-6-7/h2-3,7-8H,4-6H2,1H3/b3-2+
InChIKeyUZVGOAGGPJVBKB-NSCUHMNNSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(E)-prop-1-enyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride
CID 126845234
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
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
5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride
CID 131986793
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?
The IUPAC name of 3-[(E)-prop-1-enyl]pyrrolidine (CID 87940337) is 3-[(E)-prop-1-enyl]pyrrolidine.
What is the SMILES notation for 3-[(E)-prop-1-enyl]pyrrolidine?
The canonical SMILES for 3-[(E)-prop-1-enyl]pyrrolidine is C/C=C/C1CCNC1.
What is the InChIKey of 3-[(E)-prop-1-enyl]pyrrolidine?
The InChIKey is UZVGOAGGPJVBKB-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H13N/c1-2-3-7-4-5-8-6-7/h2-3,7-8H,4-6H2,1H3/b3-2+.
What are the key properties of 3-[(E)-prop-1-enyl]pyrrolidine?
3-[(E)-prop-1-enyl]pyrrolidine has a molecular weight of 111.19 g/mol, XLogP of 1.17, 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 is sourced from PubChem (CID 87940337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).