N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate

C6H7N2O4- — CID 53302068

IUPACN-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate
SMILESCN(C(=O)[O-])N1C(=O)CCC1=O
InChIInChI=1S/C6H8N2O4/c1-7(6(11)12)8-4(9)2-3-5(8)10/h2-3H2,1H3,(H,11,12)/p-1
InChIKeyXNMDTRBCRPPMIY-UHFFFAOYSA-M
MW171.13 g/mol
LogP-1.67
Rot. Bonds1

About N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate

N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate (PubChem CID 53302068) has the molecular formula C6H7N2O4- and a molecular weight of 171.13 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate
PubChem CID53302068
Molecular FormulaC6H7N2O4-
Molecular Weight171.13 g/mol
Exact Mass171.04
IUPAC NameN-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate
SMILESCN(C(=O)[O-])N1C(=O)CCC1=O
InChIInChI=1S/C6H8N2O4/c1-7(6(11)12)8-4(9)2-3-5(8)10/h2-3H2,1H3,(H,11,12)/p-1
InChIKeyXNMDTRBCRPPMIY-UHFFFAOYSA-M
XLogP-1.67
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate?
The IUPAC name of N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate (CID 53302068) is N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate?
The canonical SMILES for N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate is CN(C(=O)[O-])N1C(=O)CCC1=O.
What is the InChIKey of N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate?
The InChIKey is XNMDTRBCRPPMIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O4/c1-7(6(11)12)8-4(9)2-3-5(8)10/h2-3H2,1H3,(H,11,12)/p-1.
What are the key properties of N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate?
N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate has a molecular weight of 171.13 g/mol, XLogP of -1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-1-yl)-N-methylcarbamate is sourced from PubChem (CID 53302068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).