methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate

C18H19NO3 — CID 168694190

IUPACmethyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H19NO3/c1-22-18(21)16-11-17(20)19(12-16)9-8-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyFEQNOVOBKHBTAA-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.40
Rot. Bonds4

About methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168694190) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168694190
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H19NO3/c1-22-18(21)16-11-17(20)19(12-16)9-8-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyFEQNOVOBKHBTAA-UHFFFAOYSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate
CID 168694195
methyl 5-oxo-1-(2-quinolin-3-ylethyl)pyrrolidine-3-carboxylate
CID 168694192
methyl 1-[2-(3-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693910
methyl 1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693211
(3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 55337985
methyl 1-[2-(1-benzothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694189
methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694187
1-[2-(4-naphthalen-2-yloxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22683236
methyl 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693183
S-[1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706074
methyl 1-[2-(1,3-benzothiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694225
1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one
CID 168709400

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate (CID 168694190) is methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(CCc2ccc3ccccc3c2)C1.
What is the InChIKey of methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is FEQNOVOBKHBTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-22-18(21)16-11-17(20)19(12-16)9-8-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16H,8-9,11-12H2,1H3.
What are the key properties of methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168694190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).