2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine

C13H17N — CID 104703767

IUPAC2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine
SMILESCc1ccccc1/C=C/C1CCCN1
InChIInChI=1S/C13H17N/c1-11-5-2-3-6-12(11)8-9-13-7-4-10-14-13/h2-3,5-6,8-9,13-14H,4,7,10H2,1H3/b9-8+
InChIKeySKDSCABTWVWSOD-CMDGGOBGSA-N
MW187.29 g/mol
LogP2.76
Rot. Bonds2

About 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine

2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine (PubChem CID 104703767) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine
PubChem CID104703767
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine
SMILESCc1ccccc1/C=C/C1CCCN1
InChIInChI=1S/C13H17N/c1-11-5-2-3-6-12(11)8-9-13-7-4-10-14-13/h2-3,5-6,8-9,13-14H,4,7,10H2,1H3/b9-8+
InChIKeySKDSCABTWVWSOD-CMDGGOBGSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-2-(2,4-dimethylphenyl)ethenyl]piperidine
CID 104703670
2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine
CID 45097432
2-(2-phenylethenyl)pyrrolidine
CID 3705120
2-[(E)-2-(2-fluorophenyl)ethenyl]azocane
CID 114239682
2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844744
2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane
CID 104703913
(2R)-2-[(Z)-2-phenylethenyl]azepane
CID 97289892
5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one
CID 102276987
2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane
CID 114239669
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine
CID 104703649
2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine
CID 104703736

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine?
The IUPAC name of 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine (CID 104703767) is 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine.
What is the SMILES notation for 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine?
The canonical SMILES for 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine is Cc1ccccc1/C=C/C1CCCN1.
What is the InChIKey of 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine?
The InChIKey is SKDSCABTWVWSOD-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H17N/c1-11-5-2-3-6-12(11)8-9-13-7-4-10-14-13/h2-3,5-6,8-9,13-14H,4,7,10H2,1H3/b9-8+.
What are the key properties of 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine?
2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine has a molecular weight of 187.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine is sourced from PubChem (CID 104703767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).