tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate

C17H23NO2 — CID 13081457

IUPACtert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1/C=C/c1ccccc1
InChIInChI=1S/C17H23NO2/c1-17(2,3)20-16(19)18-13-7-10-15(18)12-11-14-8-5-4-6-9-14/h4-6,8-9,11-12,15H,7,10,13H2,1-3H3/b12-11+
InChIKeyJFLBTLCVLDWTIG-VAWYXSNFSA-N
MW273.38 g/mol
LogP4.10
Rot. Bonds2

About tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate

tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate (PubChem CID 13081457) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate
PubChem CID13081457
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nametert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1/C=C/c1ccccc1
InChIInChI=1S/C17H23NO2/c1-17(2,3)20-16(19)18-13-7-10-15(18)12-11-14-8-5-4-6-9-14/h4-6,8-9,11-12,15H,7,10,13H2,1-3H3/b12-11+
InChIKeyJFLBTLCVLDWTIG-VAWYXSNFSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Encyprate
CID 17298
4-Hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 3438279
(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-[(2R)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamate
CID 9839774
(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-[(2S)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamate
CID 10781420
Fenpipalone
CID 30822
Oxazolidin-2-one, 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-
CID 568720
Tert-butyl 4-phenylpiperidine-1-carboxylate
CID 10015811
Tert-butyl 11-azatricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-11-carboxylate
CID 12589047
rac-tert-butyl (3R,4S)-3-amino-4-phenylpyrrolidine-1-carboxylate
CID 17749745
(R)-N-Boc-2-phenylpyrrolidine
CID 24859471
1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine
CID 3575823
(3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine
CID 10286119

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate (CID 13081457) is tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1/C=C/c1ccccc1.
What is the InChIKey of tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate?
The InChIKey is JFLBTLCVLDWTIG-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,3)20-16(19)18-13-7-10-15(18)12-11-14-8-5-4-6-9-14/h4-6,8-9,11-12,15H,7,10,13H2,1-3H3/b12-11+.
What are the key properties of tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 13081457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).