4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide

C8H12N2O2 — CID 57066445

IUPAC4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
SMILESCCC1=C(C)CN(C(N)=O)C1=O
InChIInChI=1S/C8H12N2O2/c1-3-6-5(2)4-10(7(6)11)8(9)12/h3-4H2,1-2H3,(H2,9,12)
InChIKeyNZWLOZVCAVAHKP-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.63
Rot. Bonds1

About 4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide

4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide (PubChem CID 57066445) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
PubChem CID57066445
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
SMILESCCC1=C(C)CN(C(N)=O)C1=O
InChIInChI=1S/C8H12N2O2/c1-3-6-5(2)4-10(7(6)11)8(9)12/h3-4H2,1-2H3,(H2,9,12)
InChIKeyNZWLOZVCAVAHKP-UHFFFAOYSA-N
XLogP0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide?
The IUPAC name of 4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide (CID 57066445) is 4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide.
What is the SMILES notation for 4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide?
The canonical SMILES for 4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide is CCC1=C(C)CN(C(N)=O)C1=O.
What is the InChIKey of 4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide?
The InChIKey is NZWLOZVCAVAHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6-5(2)4-10(7(6)11)8(9)12/h3-4H2,1-2H3,(H2,9,12).
What are the key properties of 4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide?
4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide is sourced from PubChem (CID 57066445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).