methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate

C10H14N2O4 — CID 62027090

IUPACmethyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C1CC(=O)NC1=O
InChIInChI=1S/C10H14N2O4/c1-16-10(15)6-3-2-4-12(6)7-5-8(13)11-9(7)14/h6-7H,2-5H2,1H3,(H,11,13,14)
InChIKeyUCWNFKIVWJLECU-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.96
Rot. Bonds2

About methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate

methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate (PubChem CID 62027090) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
PubChem CID62027090
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C1CC(=O)NC1=O
InChIInChI=1S/C10H14N2O4/c1-16-10(15)6-3-2-4-12(6)7-5-8(13)11-9(7)14/h6-7H,2-5H2,1H3,(H,11,13,14)
InChIKeyUCWNFKIVWJLECU-UHFFFAOYSA-N
XLogP-0.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate
CID 62028796
methyl (5S,8E,8aS)-8-(methoxymethylidene)-2,3,5,6,7,8a-hexahydro-1H-indolizine-5-carboxylate
CID 10632958
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate
CID 63382875
methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10775579
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
methyl 1-[2-(2-methoxycarbonylpyrrolidin-1-yl)-3,4-dioxocyclobuten-1-yl]pyrrolidine-2-carboxylate
CID 139616358
methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
CID 115537818
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
CID 107358215
methyl (3S)-2-iodo-1-methyldiazinane-3-carboxylate
CID 142223423

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate (CID 62027090) is methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C1CC(=O)NC1=O.
What is the InChIKey of methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate?
The InChIKey is UCWNFKIVWJLECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-16-10(15)6-3-2-4-12(6)7-5-8(13)11-9(7)14/h6-7H,2-5H2,1H3,(H,11,13,14).
What are the key properties of methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate?
methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate has a molecular weight of 226.23 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62027090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).