N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide

C10H18N2O2 — CID 67938930

IUPACN,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C)C1=O
InChIInChI=1S/C10H18N2O2/c1-4-12(5-2)10(14)8-6-7-11(3)9(8)13/h8H,4-7H2,1-3H3
InChIKeyJISZKVGEMDDGMR-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.33
Rot. Bonds3

About N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide

N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 67938930) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID67938930
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C)C1=O
InChIInChI=1S/C10H18N2O2/c1-4-12(5-2)10(14)8-6-7-11(3)9(8)13/h8H,4-7H2,1-3H3
InChIKeyJISZKVGEMDDGMR-UHFFFAOYSA-N
XLogP0.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide (CID 67938930) is N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide is CCN(CC)C(=O)C1CCN(C)C1=O.
What is the InChIKey of N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is JISZKVGEMDDGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-12(5-2)10(14)8-6-7-11(3)9(8)13/h8H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide?
N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 67938930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).