methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate

C6H8N2O4 — CID 110459456

IUPACmethyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
SMILESCOC(=O)NC1CC(=O)NC1=O
InChIInChI=1S/C6H8N2O4/c1-12-6(11)7-3-2-4(9)8-5(3)10/h3H,2H2,1H3,(H,7,11)(H,8,9,10)
InChIKeyIUBMQNUMTPGSJZ-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.24
Rot. Bonds1

About methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate

methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate (PubChem CID 110459456) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
PubChem CID110459456
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Namemethyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
SMILESCOC(=O)NC1CC(=O)NC1=O
InChIInChI=1S/C6H8N2O4/c1-12-6(11)7-3-2-4(9)8-5(3)10/h3H,2H2,1H3,(H,7,11)(H,8,9,10)
InChIKeyIUBMQNUMTPGSJZ-UHFFFAOYSA-N
XLogP-1.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide
CID 110460593
2-(dimethylamino)-N-(2,5-dioxopyrrolidin-3-yl)acetamide
CID 110479878
N-(2,5-dioxopyrrolidin-3-yl)-2-ethylbutanamide
CID 110461449
(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872
3-(hydroxyamino)pyrrolidine-2,5-dione
CID 22569755
N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide
CID 110462006
N-(2,5-dioxopyrrolidin-3-yl)-4-hydroxybenzamide
CID 110462643
methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate
CID 131091908
1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea
CID 110462621
2-[(2,5-dioxopyrrolidin-3-yl)amino]propanamide
CID 43637912
N-(2,5-dioxopyrrolidin-3-yl)-2-morpholin-4-ylpropanamide
CID 110483747
tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 57049298

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate?
The IUPAC name of methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate (CID 110459456) is methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate.
What is the SMILES notation for methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate?
The canonical SMILES for methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate is COC(=O)NC1CC(=O)NC1=O.
What is the InChIKey of methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate?
The InChIKey is IUBMQNUMTPGSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-12-6(11)7-3-2-4(9)8-5(3)10/h3H,2H2,1H3,(H,7,11)(H,8,9,10).
What are the key properties of methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate?
methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate has a molecular weight of 172.14 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate is sourced from PubChem (CID 110459456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).