ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate

C8H13NO3 — CID 84820035

IUPACethyl 2-methyl-4-oxopyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC(=O)CC1C
InChIInChI=1S/C8H13NO3/c1-3-12-8(11)9-5-7(10)4-6(9)2/h6H,3-5H2,1-2H3
InChIKeyGGKLUWZMFUYGLB-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.81
Rot. Bonds1

About ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate

ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate (PubChem CID 84820035) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-oxopyrrolidine-1-carboxylate
PubChem CID84820035
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 2-methyl-4-oxopyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC(=O)CC1C
InChIInChI=1S/C8H13NO3/c1-3-12-8(11)9-5-7(10)4-6(9)2/h6H,3-5H2,1-2H3
InChIKeyGGKLUWZMFUYGLB-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 129364107
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ethyl 5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
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CID 83957294
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CID 129379126
ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate
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cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
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ethyl 2,5-dioxopiperidine-1-carboxylate
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ethyl 7-methoxy-3-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate (CID 84820035) is ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate is CCOC(=O)N1CC(=O)CC1C.
What is the InChIKey of ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate?
The InChIKey is GGKLUWZMFUYGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-12-8(11)9-5-7(10)4-6(9)2/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate?
ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 84820035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).