1-oxaldehydoylpyrrolidine-3-carboxamide

C7H10N2O3 — CID 118038578

IUPAC1-oxaldehydoylpyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)C=O)C1
InChIInChI=1S/C7H10N2O3/c8-7(12)5-1-2-9(3-5)6(11)4-10/h4-5H,1-3H2,(H2,8,12)
InChIKeyUFGXKEHNVHSGCP-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.48
Rot. Bonds2

About 1-oxaldehydoylpyrrolidine-3-carboxamide

1-oxaldehydoylpyrrolidine-3-carboxamide (PubChem CID 118038578) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-oxaldehydoylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-oxaldehydoylpyrrolidine-3-carboxamide
PubChem CID118038578
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-oxaldehydoylpyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)C=O)C1
InChIInChI=1S/C7H10N2O3/c8-7(12)5-1-2-9(3-5)6(11)4-10/h4-5H,1-3H2,(H2,8,12)
InChIKeyUFGXKEHNVHSGCP-UHFFFAOYSA-N
XLogP-1.48
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxaldehydoylpyrrolidine-3-carboxamide?
The IUPAC name of 1-oxaldehydoylpyrrolidine-3-carboxamide (CID 118038578) is 1-oxaldehydoylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-oxaldehydoylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-oxaldehydoylpyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)C=O)C1.
What is the InChIKey of 1-oxaldehydoylpyrrolidine-3-carboxamide?
The InChIKey is UFGXKEHNVHSGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c8-7(12)5-1-2-9(3-5)6(11)4-10/h4-5H,1-3H2,(H2,8,12).
What are the key properties of 1-oxaldehydoylpyrrolidine-3-carboxamide?
1-oxaldehydoylpyrrolidine-3-carboxamide has a molecular weight of 170.17 g/mol, XLogP of -1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaldehydoylpyrrolidine-3-carboxamide is sourced from PubChem (CID 118038578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).