(2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine

C13H17N — CID 134863569

IUPAC(2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine
SMILESC[C@@H]1CCCN1/C=C/c1ccccc1
InChIInChI=1S/C13H17N/c1-12-6-5-10-14(12)11-9-13-7-3-2-4-8-13/h2-4,7-9,11-12H,5-6,10H2,1H3/b11-9+/t12-/m1/s1
InChIKeyIPHBUZKPMCVBNU-LMMOQWNQSA-N
MW187.29 g/mol
LogP3.14
Rot. Bonds2

About (2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine

(2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine (PubChem CID 134863569) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine
PubChem CID134863569
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine
SMILESC[C@@H]1CCCN1/C=C/c1ccccc1
InChIInChI=1S/C13H17N/c1-12-6-5-10-14(12)11-9-13-7-3-2-4-8-13/h2-4,7-9,11-12H,5-6,10H2,1H3/b11-9+/t12-/m1/s1
InChIKeyIPHBUZKPMCVBNU-LMMOQWNQSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-(2-phenylethenyl)piperidine
CID 174298455
triphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]silane
CID 139123609
1-[(E)-2-phenylethenyl]azepane
CID 146169339
iodomethane;1-[(E)-2-phenylethenyl]piperidine
CID 20839071
N-methyl-1-(2-phenylethenyl)piperidin-4-amine
CID 174773972
(3S)-3-chloro-1-(2-phenylethenyl)piperidine
CID 174317120
(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine
CID 59100261
(E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 5371862
(E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal
CID 134850692
4-[(E)-2-phenylethenyl]thiomorpholine
CID 146169340
(2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one
CID 24842724
3-methyl-N-[2-oxo-1-[(E)-2-phenylethenyl]piperidin-3-yl]but-2-enamide
CID 138989894

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine?
The IUPAC name of (2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine (CID 134863569) is (2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine.
What is the SMILES notation for (2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine?
The canonical SMILES for (2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine is C[C@@H]1CCCN1/C=C/c1ccccc1.
What is the InChIKey of (2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine?
The InChIKey is IPHBUZKPMCVBNU-LMMOQWNQSA-N. The full InChI is InChI=1S/C13H17N/c1-12-6-5-10-14(12)11-9-13-7-3-2-4-8-13/h2-4,7-9,11-12H,5-6,10H2,1H3/b11-9+/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine?
(2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine has a molecular weight of 187.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine is sourced from PubChem (CID 134863569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).