1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide

C10H18N2O2 — CID 118262712

IUPAC1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC(C)C1C(=O)N(C)C
InChIInChI=1S/C10H18N2O2/c1-7-5-6-12(8(2)13)9(7)10(14)11(3)4/h7,9H,5-6H2,1-4H3
InChIKeyBKCBDBVGQBRUEI-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.33
Rot. Bonds1

About 1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide

1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide (PubChem CID 118262712) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide
PubChem CID118262712
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC(C)C1C(=O)N(C)C
InChIInChI=1S/C10H18N2O2/c1-7-5-6-12(8(2)13)9(7)10(14)11(3)4/h7,9H,5-6H2,1-4H3
InChIKeyBKCBDBVGQBRUEI-UHFFFAOYSA-N
XLogP0.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze 1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide (CID 118262712) is 1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide is CC(=O)N1CCC(C)C1C(=O)N(C)C.
What is the InChIKey of 1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide?
The InChIKey is BKCBDBVGQBRUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7-5-6-12(8(2)13)9(7)10(14)11(3)4/h7,9H,5-6H2,1-4H3.
What are the key properties of 1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide?
1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118262712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).