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

C8H12N2O — CID 123329321

IUPAC2-ethyl-5-methyl-1H-pyrrole-3-carboxamide
SMILESCCc1[nH]c(C)cc1C(N)=O
InChIInChI=1S/C8H12N2O/c1-3-7-6(8(9)11)4-5(2)10-7/h4,10H,3H2,1-2H3,(H2,9,11)
InChIKeyGEYNGMSRWAALBM-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.98
Rot. Bonds2

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

2-ethyl-5-methyl-1H-pyrrole-3-carboxamide (PubChem CID 123329321) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-1H-pyrrole-3-carboxamide
PubChem CID123329321
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-ethyl-5-methyl-1H-pyrrole-3-carboxamide
SMILESCCc1[nH]c(C)cc1C(N)=O
InChIInChI=1S/C8H12N2O/c1-3-7-6(8(9)11)4-5(2)10-7/h4,10H,3H2,1-2H3,(H2,9,11)
InChIKeyGEYNGMSRWAALBM-UHFFFAOYSA-N
XLogP0.98
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-1H-pyrrole-3-carboxamide (CID 123329321) is 2-ethyl-5-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-1H-pyrrole-3-carboxamide is CCc1[nH]c(C)cc1C(N)=O.
What is the InChIKey of 2-ethyl-5-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is GEYNGMSRWAALBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-7-6(8(9)11)4-5(2)10-7/h4,10H,3H2,1-2H3,(H2,9,11).
What are the key properties of 2-ethyl-5-methyl-1H-pyrrole-3-carboxamide?
2-ethyl-5-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 123329321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).