tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate

C20H25NO2 — CID 135066550

IUPACtert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1Cc1cccc2ccccc12
InChIInChI=1S/C20H25NO2/c1-20(2,3)23-19(22)21-13-7-11-17(21)14-16-10-6-9-15-8-4-5-12-18(15)16/h4-6,8-10,12,17H,7,11,13-14H2,1-3H3
InChIKeyKGQCOTVDXCRAPQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.78
Rot. Bonds2

About tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate

tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate (PubChem CID 135066550) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate
PubChem CID135066550
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Nametert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1Cc1cccc2ccccc12
InChIInChI=1S/C20H25NO2/c1-20(2,3)23-19(22)21-13-7-11-17(21)14-16-10-6-9-15-8-4-5-12-18(15)16/h4-6,8-10,12,17H,7,11,13-14H2,1-3H3
InChIKeyKGQCOTVDXCRAPQ-UHFFFAOYSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(Naphthalen-1-yl)ethyl]pyrrolidin-2-one
CID 261416
Tert-butyl 4,4-dimethyl-2-(3-(trifluoromethyl)benzyl)pyrrolidine-1-carboxylate
CID 46904867
Tert-butyl 4,4-dimethyl-2-(2-(trifluoromethyl)benzyl)pyrrolidine-1-carboxylate
CID 53383673
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]carbamate
CID 44632909
1-Boc-3-Phenyl-pyrrolidine
CID 11230388
tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate
CID 52936214
tert-butyl (2S)-2-[(1R)-1,2-difluoro-2,2-diphenylethyl]pyrrolidine-1-carboxylate
CID 134849352
Tert-butyl 2-(1-fluoro-2,2-diphenylethenyl)pyrrolidine-1-carboxylate
CID 134854188
tert-butyl (2S)-2-[(1S)-1,2-difluoro-2,2-diphenylethyl]pyrrolidine-1-carboxylate
CID 135029423
tert-butyl 2-[(Z)-1-fluoro-2-(4-phenylphenyl)prop-1-enyl]pyrrolidine-1-carboxylate
CID 177852532
tert-butyl (2R)-2-(naphthalen-2-yl)pyrrolidine-1-carboxylate
CID 53469485
(2RS)-2-benzyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 3265841

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate (CID 135066550) is tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1Cc1cccc2ccccc12.
What is the InChIKey of tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is KGQCOTVDXCRAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-20(2,3)23-19(22)21-13-7-11-17(21)14-16-10-6-9-15-8-4-5-12-18(15)16/h4-6,8-10,12,17H,7,11,13-14H2,1-3H3.
What are the key properties of tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 311.43 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 135066550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).