5-oxopyrrolidine-3-carboxamide

C5H8N2O2 — CID 3528514

IUPAC5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CNC(=O)C1
InChIInChI=1S/C5H8N2O2/c6-5(9)3-1-4(8)7-2-3/h3H,1-2H2,(H2,6,9)(H,7,8)
InChIKeyBJSCOTHGFJMOOE-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.39
Rot. Bonds1

About 5-oxopyrrolidine-3-carboxamide

5-oxopyrrolidine-3-carboxamide (PubChem CID 3528514) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxopyrrolidine-3-carboxamide
PubChem CID3528514
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CNC(=O)C1
InChIInChI=1S/C5H8N2O2/c6-5(9)3-1-4(8)7-2-3/h3H,1-2H2,(H2,6,9)(H,7,8)
InChIKeyBJSCOTHGFJMOOE-UHFFFAOYSA-N
XLogP-1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 5-oxopyrrolidine-3-carboxamide (CID 3528514) is 5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxopyrrolidine-3-carboxamide is NC(=O)C1CNC(=O)C1.
What is the InChIKey of 5-oxopyrrolidine-3-carboxamide?
The InChIKey is BJSCOTHGFJMOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c6-5(9)3-1-4(8)7-2-3/h3H,1-2H2,(H2,6,9)(H,7,8).
What are the key properties of 5-oxopyrrolidine-3-carboxamide?
5-oxopyrrolidine-3-carboxamide has a molecular weight of 128.13 g/mol, XLogP of -1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3528514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).