N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide

C11H18N2O4 — CID 143544049

IUPACN-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide
SMILESCCOC(NC(=O)C1CCCN1C=O)C(C)=O
InChIInChI=1S/C11H18N2O4/c1-3-17-11(8(2)15)12-10(16)9-5-4-6-13(9)7-14/h7,9,11H,3-6H2,1-2H3,(H,12,16)
InChIKeyFFLODBNFOVTKQW-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.32
Rot. Bonds6

About N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide

N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide (PubChem CID 143544049) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide
PubChem CID143544049
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide
SMILESCCOC(NC(=O)C1CCCN1C=O)C(C)=O
InChIInChI=1S/C11H18N2O4/c1-3-17-11(8(2)15)12-10(16)9-5-4-6-13(9)7-14/h7,9,11H,3-6H2,1-2H3,(H,12,16)
InChIKeyFFLODBNFOVTKQW-UHFFFAOYSA-N
XLogP-0.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide (CID 143544049) is N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide is CCOC(NC(=O)C1CCCN1C=O)C(C)=O.
What is the InChIKey of N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide?
The InChIKey is FFLODBNFOVTKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-17-11(8(2)15)12-10(16)9-5-4-6-13(9)7-14/h7,9,11H,3-6H2,1-2H3,(H,12,16).
What are the key properties of N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide?
N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide has a molecular weight of 242.27 g/mol, XLogP of -0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143544049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).