2-(2-phenylethenyl)pyrrolidine

C12H15N — CID 3705120

IUPAC2-(2-phenylethenyl)pyrrolidine
SMILESC(=CC1CCCN1)c1ccccc1
InChIInChI=1S/C12H15N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,8-9,12-13H,4,7,10H2
InChIKeyRQGQABZKJKPSSY-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.45
Rot. Bonds2

About 2-(2-phenylethenyl)pyrrolidine

2-(2-phenylethenyl)pyrrolidine (PubChem CID 3705120) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(2-phenylethenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-phenylethenyl)pyrrolidine
PubChem CID3705120
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-(2-phenylethenyl)pyrrolidine
SMILESC(=CC1CCCN1)c1ccccc1
InChIInChI=1S/C12H15N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,8-9,12-13H,4,7,10H2
InChIKeyRQGQABZKJKPSSY-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-phenylethenyl)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

(2R)-2-[(Z)-2-phenylethenyl]azepane
CID 97289892
(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329
2-[(E)-2-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844801
2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine
CID 104703767
2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride
CID 126844673
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 113443116
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine
CID 113443105
2-[(E)-2-(2-fluorophenyl)ethenyl]azocane
CID 114239682
2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844744
2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane
CID 114239669
[2-nitro-5-[(E)-2-pyrrolidin-2-ylethenyl]phenyl]-phenylmethanone
CID 146306175
2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine
CID 45097432

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)pyrrolidine?
The IUPAC name of 2-(2-phenylethenyl)pyrrolidine (CID 3705120) is 2-(2-phenylethenyl)pyrrolidine.
What is the SMILES notation for 2-(2-phenylethenyl)pyrrolidine?
The canonical SMILES for 2-(2-phenylethenyl)pyrrolidine is C(=CC1CCCN1)c1ccccc1.
What is the InChIKey of 2-(2-phenylethenyl)pyrrolidine?
The InChIKey is RQGQABZKJKPSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,8-9,12-13H,4,7,10H2.
What are the key properties of 2-(2-phenylethenyl)pyrrolidine?
2-(2-phenylethenyl)pyrrolidine has a molecular weight of 173.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)pyrrolidine is sourced from PubChem (CID 3705120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).