5-oxo-1,2-dihydropyrrole-2-carboxamide

C5H6N2O2 — CID 138753590

IUPAC5-oxo-1,2-dihydropyrrole-2-carboxamide
SMILESNC(=O)C1C=CC(=O)N1
InChIInChI=1S/C5H6N2O2/c6-5(9)3-1-2-4(8)7-3/h1-3H,(H2,6,9)(H,7,8)
InChIKeyCWFIMXLHMJUDNQ-UHFFFAOYSA-N
MW126.11 g/mol
LogP-1.47
Rot. Bonds1

About 5-oxo-1,2-dihydropyrrole-2-carboxamide

5-oxo-1,2-dihydropyrrole-2-carboxamide (PubChem CID 138753590) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 5-oxo-1,2-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1,2-dihydropyrrole-2-carboxamide
PubChem CID138753590
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name5-oxo-1,2-dihydropyrrole-2-carboxamide
SMILESNC(=O)C1C=CC(=O)N1
InChIInChI=1S/C5H6N2O2/c6-5(9)3-1-2-4(8)7-3/h1-3H,(H2,6,9)(H,7,8)
InChIKeyCWFIMXLHMJUDNQ-UHFFFAOYSA-N
XLogP-1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1,2-dihydropyrrole-2-carboxamide?
The IUPAC name of 5-oxo-1,2-dihydropyrrole-2-carboxamide (CID 138753590) is 5-oxo-1,2-dihydropyrrole-2-carboxamide.
What is the SMILES notation for 5-oxo-1,2-dihydropyrrole-2-carboxamide?
The canonical SMILES for 5-oxo-1,2-dihydropyrrole-2-carboxamide is NC(=O)C1C=CC(=O)N1.
What is the InChIKey of 5-oxo-1,2-dihydropyrrole-2-carboxamide?
The InChIKey is CWFIMXLHMJUDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c6-5(9)3-1-2-4(8)7-3/h1-3H,(H2,6,9)(H,7,8).
What are the key properties of 5-oxo-1,2-dihydropyrrole-2-carboxamide?
5-oxo-1,2-dihydropyrrole-2-carboxamide has a molecular weight of 126.11 g/mol, XLogP of -1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1,2-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 138753590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).