(3R)-3-phenyl-1-prop-2-enylpyrrolidine

C13H17N — CID 1414729

IUPAC(3R)-3-phenyl-1-prop-2-enylpyrrolidine
SMILESC=CCN1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C13H17N/c1-2-9-14-10-8-13(11-14)12-6-4-3-5-7-12/h2-7,13H,1,8-11H2/t13-/m0/s1
InChIKeyQJJJYMFYBIMRBM-ZDUSSCGKSA-N
MW187.29 g/mol
LogP2.66
Rot. Bonds3

About (3R)-3-phenyl-1-prop-2-enylpyrrolidine

(3R)-3-phenyl-1-prop-2-enylpyrrolidine (PubChem CID 1414729) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (3R)-3-phenyl-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-phenyl-1-prop-2-enylpyrrolidine
PubChem CID1414729
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(3R)-3-phenyl-1-prop-2-enylpyrrolidine
SMILESC=CCN1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C13H17N/c1-2-9-14-10-8-13(11-14)12-6-4-3-5-7-12/h2-7,13H,1,8-11H2/t13-/m0/s1
InChIKeyQJJJYMFYBIMRBM-ZDUSSCGKSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-3-phenyl-1-prop-2-enylpyrrolidine 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-phenyl-1-prop-2-enylazetidine
CID 23632
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
1-[(E)-but-2-enyl]-4-phenylpiperidine
CID 22888236
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
(3S)-3-phenylpyrrolidine-1-carbaldehyde
CID 175059746
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
N-methyl-2-[2-(3-phenylpyrrolidin-1-yl)ethyl]cyclopentan-1-amine
CID 79565241
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
2-[4-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(3,4,5-13C3)azinan-1-yl]-1,1,2,2-tetradeuterio(113C)ethanamine
CID 89308417
1-[1-(azepan-1-yl)-2-(3-phenylpyrrolidin-1-yl)ethyl]azepane
CID 67642136

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-1-prop-2-enylpyrrolidine?
The IUPAC name of (3R)-3-phenyl-1-prop-2-enylpyrrolidine (CID 1414729) is (3R)-3-phenyl-1-prop-2-enylpyrrolidine.
What is the SMILES notation for (3R)-3-phenyl-1-prop-2-enylpyrrolidine?
The canonical SMILES for (3R)-3-phenyl-1-prop-2-enylpyrrolidine is C=CCN1CC[C@H](c2ccccc2)C1.
What is the InChIKey of (3R)-3-phenyl-1-prop-2-enylpyrrolidine?
The InChIKey is QJJJYMFYBIMRBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N/c1-2-9-14-10-8-13(11-14)12-6-4-3-5-7-12/h2-7,13H,1,8-11H2/t13-/m0/s1.
What are the key properties of (3R)-3-phenyl-1-prop-2-enylpyrrolidine?
(3R)-3-phenyl-1-prop-2-enylpyrrolidine has a molecular weight of 187.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 1414729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).