(2S)-2-(3-ethenylphenyl)pyrrolidine

C12H15N — CID 55252972

IUPAC(2S)-2-(3-ethenylphenyl)pyrrolidine
SMILESC=Cc1cccc([C@@H]2CCCN2)c1
InChIInChI=1S/C12H15N/c1-2-10-5-3-6-11(9-10)12-7-4-8-13-12/h2-3,5-6,9,12-13H,1,4,7-8H2/t12-/m0/s1
InChIKeyVJXQJOPRSOOAER-LBPRGKRZSA-N
MW173.26 g/mol
LogP2.75
Rot. Bonds2

About (2S)-2-(3-ethenylphenyl)pyrrolidine

(2S)-2-(3-ethenylphenyl)pyrrolidine (PubChem CID 55252972) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-(3-ethenylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(3-ethenylphenyl)pyrrolidine
PubChem CID55252972
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(2S)-2-(3-ethenylphenyl)pyrrolidine
SMILESC=Cc1cccc([C@@H]2CCCN2)c1
InChIInChI=1S/C12H15N/c1-2-10-5-3-6-11(9-10)12-7-4-8-13-12/h2-3,5-6,9,12-13H,1,4,7-8H2/t12-/m0/s1
InChIKeyVJXQJOPRSOOAER-LBPRGKRZSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(3-ethenylphenyl)piperidine
CID 131060850
(2S)-2-(3-ethenylphenyl)piperazine
CID 55265637
2-(3-iodophenyl)pyrrolidine;hydrochloride
CID 154803675
2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 45156256
2-(3-ethenyl-4-fluorophenyl)pyrrolidine
CID 172576187
N,N-dimethyl-3-pyrrolidin-2-ylaniline
CID 3982054
2-[3-(thian-4-yl)phenyl]pyrrolidine
CID 117372154
(2R)-2-(3-iodophenyl)piperidine
CID 7048045
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
(2R)-2-(3-methylphenyl)azepane
CID 7048257
N-(3-piperidin-2-ylphenyl)sulfanylmethanamine
CID 131995035

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-ethenylphenyl)pyrrolidine?
The IUPAC name of (2S)-2-(3-ethenylphenyl)pyrrolidine (CID 55252972) is (2S)-2-(3-ethenylphenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(3-ethenylphenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(3-ethenylphenyl)pyrrolidine is C=Cc1cccc([C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-2-(3-ethenylphenyl)pyrrolidine?
The InChIKey is VJXQJOPRSOOAER-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15N/c1-2-10-5-3-6-11(9-10)12-7-4-8-13-12/h2-3,5-6,9,12-13H,1,4,7-8H2/t12-/m0/s1.
What are the key properties of (2S)-2-(3-ethenylphenyl)pyrrolidine?
(2S)-2-(3-ethenylphenyl)pyrrolidine has a molecular weight of 173.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-ethenylphenyl)pyrrolidine is sourced from PubChem (CID 55252972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).