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

C6H8N2O3 — CID 88932629

IUPACN-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide
SMILESCN(C=O)N1C(=O)CCC1=O
InChIInChI=1S/C6H8N2O3/c1-7(4-9)8-5(10)2-3-6(8)11/h4H,2-3H2,1H3
InChIKeyVJCNACDDQSEDGB-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.86
Rot. Bonds2

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

N-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide (PubChem CID 88932629) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide
PubChem CID88932629
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC NameN-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide
SMILESCN(C=O)N1C(=O)CCC1=O
InChIInChI=1S/C6H8N2O3/c1-7(4-9)8-5(10)2-3-6(8)11/h4H,2-3H2,1H3
InChIKeyVJCNACDDQSEDGB-UHFFFAOYSA-N
XLogP-0.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-methylformamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide (CID 88932629) is N-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide is CN(C=O)N1C(=O)CCC1=O.
What is the InChIKey of N-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide?
The InChIKey is VJCNACDDQSEDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-7(4-9)8-5(10)2-3-6(8)11/h4H,2-3H2,1H3.
What are the key properties of N-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide?
N-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide has a molecular weight of 156.14 g/mol, XLogP of -0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-1-yl)-N-methylformamide is sourced from PubChem (CID 88932629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).