2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide

C12H20N2O3 — CID 90858294

IUPAC2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide
SMILESCCCC1CN(C(CC)C(N)=O)C(=O)C1C=O
InChIInChI=1S/C12H20N2O3/c1-3-5-8-6-14(10(4-2)11(13)16)12(17)9(8)7-15/h7-10H,3-6H2,1-2H3,(H2,13,16)
InChIKeyQRRYVLDOZWHFHH-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.32
Rot. Bonds6

About 2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide

2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide (PubChem CID 90858294) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide
PubChem CID90858294
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide
SMILESCCCC1CN(C(CC)C(N)=O)C(=O)C1C=O
InChIInChI=1S/C12H20N2O3/c1-3-5-8-6-14(10(4-2)11(13)16)12(17)9(8)7-15/h7-10H,3-6H2,1-2H3,(H2,13,16)
InChIKeyQRRYVLDOZWHFHH-UHFFFAOYSA-N
XLogP0.32
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide?
The IUPAC name of 2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide (CID 90858294) is 2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for 2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide?
The canonical SMILES for 2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide is CCCC1CN(C(CC)C(N)=O)C(=O)C1C=O.
What is the InChIKey of 2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide?
The InChIKey is QRRYVLDOZWHFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-5-8-6-14(10(4-2)11(13)16)12(17)9(8)7-15/h7-10H,3-6H2,1-2H3,(H2,13,16).
What are the key properties of 2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide?
2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide has a molecular weight of 240.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 90858294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).