methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate

C10H15NO3 — CID 118454106

IUPACmethyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C2CC2)C(=O)C1C
InChIInChI=1S/C10H15NO3/c1-6-8(10(13)14-2)5-11(9(6)12)7-3-4-7/h6-8H,3-5H2,1-2H3
InChIKeyAAIVVZXBBVKDLJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.42
Rot. Bonds2

About methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate

methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 118454106) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate
PubChem CID118454106
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C2CC2)C(=O)C1C
InChIInChI=1S/C10H15NO3/c1-6-8(10(13)14-2)5-11(9(6)12)7-3-4-7/h6-8H,3-5H2,1-2H3
InChIKeyAAIVVZXBBVKDLJ-UHFFFAOYSA-N
XLogP0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 118454245
1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one
CID 118454170
methyl (3S,9aR)-6-oxo-1,2,3,4,7,8,9,9a-octahydroquinolizine-3-carboxylate
CID 90283116
methyl 1-cyclohexyl-4-hydroxy-6-oxo-2,5-dihydropyridine-5-carboxylate
CID 67110869
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
1-cyclopropyl-2-oxoazetidine-3-carboxylic acid
CID 82467868
methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 22944649
methyl (2S,3R)-2-methyl-5-oxopyrrolidine-3-carboxylate
CID 124705892
methyl (3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylate
CID 86680346
methyl (1R,8S)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 10921169
cis-methyl (1R,2S)-2-methyl-4-oxocyclohexane-1-carboxylate
CID 12561750

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate (CID 118454106) is methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CN(C2CC2)C(=O)C1C.
What is the InChIKey of methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is AAIVVZXBBVKDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6-8(10(13)14-2)5-11(9(6)12)7-3-4-7/h6-8H,3-5H2,1-2H3.
What are the key properties of methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate?
methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 118454106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).