N,1-diethyl-5-oxopyrrolidine-3-carboxamide

C9H16N2O2 — CID 17230120

IUPACN,1-diethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CC(=O)N(CC)C1
InChIInChI=1S/C9H16N2O2/c1-3-10-9(13)7-5-8(12)11(4-2)6-7/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyQOUHSTGXENIUQC-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.01
Rot. Bonds3

About N,1-diethyl-5-oxopyrrolidine-3-carboxamide

N,1-diethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17230120) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N,1-diethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17230120
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN,1-diethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CC(=O)N(CC)C1
InChIInChI=1S/C9H16N2O2/c1-3-10-9(13)7-5-8(12)11(4-2)6-7/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyQOUHSTGXENIUQC-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,1-diethyl-5-oxopyrrolidine-3-carboxamide (CID 17230120) is N,1-diethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-diethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,1-diethyl-5-oxopyrrolidine-3-carboxamide is CCNC(=O)C1CC(=O)N(CC)C1.
What is the InChIKey of N,1-diethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QOUHSTGXENIUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-10-9(13)7-5-8(12)11(4-2)6-7/h7H,3-6H2,1-2H3,(H,10,13).
What are the key properties of N,1-diethyl-5-oxopyrrolidine-3-carboxamide?
N,1-diethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17230120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).