2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine

C15H21N — CID 165444484

IUPAC2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine
SMILESC=CCc1cccc(CN2CCCC2C)c1
InChIInChI=1S/C15H21N/c1-3-6-14-8-4-9-15(11-14)12-16-10-5-7-13(16)2/h3-4,8-9,11,13H,1,5-7,10,12H2,2H3
InChIKeyJAOGMUGAHJYYRR-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.40
Rot. Bonds4

About 2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine

2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine (PubChem CID 165444484) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine
PubChem CID165444484
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine
SMILESC=CCc1cccc(CN2CCCC2C)c1
InChIInChI=1S/C15H21N/c1-3-6-14-8-4-9-15(11-14)12-16-10-5-7-13(16)2/h3-4,8-9,11,13H,1,5-7,10,12H2,2H3
InChIKeyJAOGMUGAHJYYRR-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.40
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

2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine
CID 171523670
3-[[(2S)-2-methylpiperidin-1-yl]methyl]benzaldehyde
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2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 62471451
1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 23566973
N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95131755
(2S)-2-methyl-1-prop-2-enylpyrrolidine
CID 124507016
2-chloro-N'-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanimidamide
CID 169365970
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 107740241
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62430874
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine (CID 165444484) is 2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine is C=CCc1cccc(CN2CCCC2C)c1.
What is the InChIKey of 2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine?
The InChIKey is JAOGMUGAHJYYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-6-14-8-4-9-15(11-14)12-16-10-5-7-13(16)2/h3-4,8-9,11,13H,1,5-7,10,12H2,2H3.
What are the key properties of 2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine?
2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 165444484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).