tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate

C10H16N2O4 — CID 58735408

IUPACtert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
SMILESCN1C(=O)CC(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C10H16N2O4/c1-10(2,3)16-9(15)11-6-5-7(13)12(4)8(6)14/h6H,5H2,1-4H3,(H,11,15)
InChIKeyFTTQLYBBZLGHLR-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.27
Rot. Bonds1

About tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate

tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate (PubChem CID 58735408) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
PubChem CID58735408
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nametert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
SMILESCN1C(=O)CC(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C10H16N2O4/c1-10(2,3)16-9(15)11-6-5-7(13)12(4)8(6)14/h6H,5H2,1-4H3,(H,11,15)
InChIKeyFTTQLYBBZLGHLR-UHFFFAOYSA-N
XLogP0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605482
tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 22868946
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate
CID 103719952
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180
tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate
CID 11117423
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234
tert-butyl 1-methyl-2,5-dioxopyrrolidine-3-carboxylate
CID 46183778
tert-butyl N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl)carbamate
CID 76575997
tert-butyl N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]carbamate
CID 72533232
3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide
CID 58708342
2-methyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3-oxopropanoic acid
CID 114898685

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate (CID 58735408) is tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate is CN1C(=O)CC(NC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate?
The InChIKey is FTTQLYBBZLGHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(2,3)16-9(15)11-6-5-7(13)12(4)8(6)14/h6H,5H2,1-4H3,(H,11,15).
What are the key properties of tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate?
tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate has a molecular weight of 228.25 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate is sourced from PubChem (CID 58735408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).