tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate

C20H23NO2 — CID 134940344

IUPACtert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate
SMILESC=C1C[C@H](c2ccc3ccccc3c2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H23NO2/c1-14-11-18(21(13-14)19(22)23-20(2,3)4)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12,18H,1,11,13H2,2-4H3/t18-/m1/s1
InChIKeyGDGUNFSFGLDEKR-GOSISDBHSA-N
MW309.41 g/mol
LogP5.08
Rot. Bonds1

About tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate

tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate (PubChem CID 134940344) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate
PubChem CID134940344
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nametert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate
SMILESC=C1C[C@H](c2ccc3ccccc3c2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H23NO2/c1-14-11-18(21(13-14)19(22)23-20(2,3)4)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12,18H,1,11,13H2,2-4H3/t18-/m1/s1
InChIKeyGDGUNFSFGLDEKR-GOSISDBHSA-N
XLogP5.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-Naphthalenylmethyl)-1-piperazinecarboxylic acid ethyl ester
CID 782428
Tert-butyl 11-azatricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-11-carboxylate
CID 12589047
(5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591813
(R)-N-Boc-2-phenylpyrrolidine
CID 24859471
tert-butyl N-(2-amino-2-(naphthalen-2-yl)ethyl)carbamate
CID 66523421
tert-butyl 5-(aminomethyl)-2,3-dihydro-1H-isoindole-2-carboxylate
CID 67726265
tert-butyl 5-ethynyl-2,3-dihydro-1H-isoindole-2-carboxylate
CID 129958911
5,5-dimethylhex-3-ynyl N-ethyl-N-(naphthalen-1-ylmethyl)carbamate
CID 10246470
4-(Hydroxymethyl)-3-[(4-methyl-1-naphthyl)methyl]-1,3-oxazolidin-2-one
CID 72874332
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]carbamate
CID 44632909
Tert-butyl 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylate
CID 126492163
Tert-butyl 2-phenylpyrrolidine-1-carboxylate
CID 3772557

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate (CID 134940344) is tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate is C=C1C[C@H](c2ccc3ccccc3c2)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate?
The InChIKey is GDGUNFSFGLDEKR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-11-18(21(13-14)19(22)23-20(2,3)4)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12,18H,1,11,13H2,2-4H3/t18-/m1/s1.
What are the key properties of tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate?
tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-methylidene-2-naphthalen-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 134940344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).