ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate

C17H17NO3 — CID 105360130

IUPACethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1cccc2ccccc12
InChIInChI=1S/C17H17NO3/c1-2-21-17(20)16-14(10-15(19)18-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14,16H,2,10H2,1H3,(H,18,19)
InChIKeyRMUSLOIUNVTMAG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.38
Rot. Bonds3

About ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate

ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate (PubChem CID 105360130) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
PubChem CID105360130
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1cccc2ccccc12
InChIInChI=1S/C17H17NO3/c1-2-21-17(20)16-14(10-15(19)18-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14,16H,2,10H2,1H3,(H,18,19)
InChIKeyRMUSLOIUNVTMAG-UHFFFAOYSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate
CID 105360281
ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360299
ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate
CID 10267389
ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360187
ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360333
ethyl 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 78120546
ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate
CID 105360312
3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359780
ethyl 4-(2-hydroxyphenyl)-6-naphthalen-1-yl-2-oxocyclohex-3-ene-1-carboxylate
CID 150005395
diethyl 5-oxopyrrolidine-2,3-dicarboxylate
CID 45272996
ethyl (4R)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691366
ethyl 3-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360365

Frequently Asked Questions

What is the IUPAC name of ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate (CID 105360130) is ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate is CCOC(=O)C1NC(=O)CC1c1cccc2ccccc12.
What is the InChIKey of ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is RMUSLOIUNVTMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-21-17(20)16-14(10-15(19)18-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14,16H,2,10H2,1H3,(H,18,19).
What are the key properties of ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate?
ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 105360130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).