N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide

C9H14N2O3 — CID 551680

IUPACN,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)N1C(=O)CCC1=O
InChIInChI=1S/C9H14N2O3/c1-3-10(4-2)9(14)11-7(12)5-6-8(11)13/h3-6H2,1-2H3
InChIKeyQYDKTHKBHXOHLT-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.60
Rot. Bonds2

About N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide

N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide (PubChem CID 551680) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide
PubChem CID551680
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)N1C(=O)CCC1=O
InChIInChI=1S/C9H14N2O3/c1-3-10(4-2)9(14)11-7(12)5-6-8(11)13/h3-6H2,1-2H3
InChIKeyQYDKTHKBHXOHLT-UHFFFAOYSA-N
XLogP0.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-1-pyrrolidinecarboxamide
CID 326996
1-Butylpyrrolidine-2,5-dione
CID 137956
Succinimide, N-(4-methyl-1-piperazinylmethyl)-
CID 217171
Succinimide, N-((dimethylamino)methyl)-
CID 217169
1-[4-(Dimethylamino)but-2-ynyl]pyrrolidine-2,5-dione
CID 44369479
1,1'-Ethylidenedi-2-pyrrolidinone
CID 13379697
1-[(2-Oxopyrrolidinyl)methyl]pyrrolidin-2-one
CID 4159826
N,N'-Carbonyldipyrrolidin-2-one
CID 533467
1,1'-[(Methylazanediyl)bis(methylene)]di(pyrrolidine-2,5-dione)
CID 339370
N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
CID 3588259
Disuccinimidomethan
CID 20071048
Bissuccinimidoethane
CID 129711359

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide?
The IUPAC name of N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide (CID 551680) is N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide is CCN(CC)C(=O)N1C(=O)CCC1=O.
What is the InChIKey of N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide?
The InChIKey is QYDKTHKBHXOHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-10(4-2)9(14)11-7(12)5-6-8(11)13/h3-6H2,1-2H3.
What are the key properties of N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide?
N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide has a molecular weight of 198.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,5-dioxopyrrolidine-1-carboxamide is sourced from PubChem (CID 551680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).