(2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine

C15H21N — CID 54044931

IUPAC(2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine
SMILESC[C@@H]1C[C@@H](C/C=C/c2ccccc2)CN1C
InChIInChI=1S/C15H21N/c1-13-11-15(12-16(13)2)10-6-9-14-7-4-3-5-8-14/h3-9,13,15H,10-12H2,1-2H3/b9-6+/t13-,15-/m1/s1
InChIKeyLOWTUJKWOGYWIP-LBMWNBJUSA-N
MW215.34 g/mol
LogP3.43
Rot. Bonds3

About (2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine

(2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine (PubChem CID 54044931) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name(2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine
PubChem CID54044931
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine
SMILESC[C@@H]1C[C@@H](C/C=C/c2ccccc2)CN1C
InChIInChI=1S/C15H21N/c1-13-11-15(12-16(13)2)10-6-9-14-7-4-3-5-8-14/h3-9,13,15H,10-12H2,1-2H3/b9-6+/t13-,15-/m1/s1
InChIKeyLOWTUJKWOGYWIP-LBMWNBJUSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-3-cyclohexylprop-1-enyl]benzene
CID 22325167
1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 115615391
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate
CID 11885506
2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine
CID 76942803
3-(3-phenylprop-2-enyl)piperidine
CID 141263506
2-O-benzyl 1-O-tert-butyl (2S,4R)-4-(3-phenylprop-2-enyl)pyrrolidine-1,2-dicarboxylate
CID 91542059
N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine
CID 23823711
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
benzene;but-1-enylbenzene
CID 157481332
3-methyl-9-[(E)-3-phenylprop-2-enyl]-9-azabicyclo[3.3.1]nonane
CID 129191946
(2S,6S)-2,6-dimethyl-4-[(E)-3-phenylprop-2-enyl]morpholin-4-ium
CID 7302647
(1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane
CID 71507650

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine?
The IUPAC name of (2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine (CID 54044931) is (2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine.
What is the SMILES notation for (2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine?
The canonical SMILES for (2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine is C[C@@H]1C[C@@H](C/C=C/c2ccccc2)CN1C.
What is the InChIKey of (2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine?
The InChIKey is LOWTUJKWOGYWIP-LBMWNBJUSA-N. The full InChI is InChI=1S/C15H21N/c1-13-11-15(12-16(13)2)10-6-9-14-7-4-3-5-8-14/h3-9,13,15H,10-12H2,1-2H3/b9-6+/t13-,15-/m1/s1.
What are the key properties of (2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine?
(2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]pyrrolidine is sourced from PubChem (CID 54044931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).