N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

C11H19N3O3 — CID 113228049

IUPACN-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C11H19N3O3/c1-3-14(4-2)10(16)7-13-11(17)8-5-9(15)12-6-8/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyCYLPTPAZTLJMRZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.89
Rot. Bonds5

About N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113228049) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113228049
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C11H19N3O3/c1-3-14(4-2)10(16)7-13-11(17)8-5-9(15)12-6-8/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyCYLPTPAZTLJMRZ-UHFFFAOYSA-N
XLogP-0.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (CID 113228049) is N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)C(=O)CNC(=O)C1CNC(=O)C1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CYLPTPAZTLJMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-14(4-2)10(16)7-13-11(17)8-5-9(15)12-6-8/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113228049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).