4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide

C11H16N2O2 — CID 47265390

IUPAC4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC)[nH]c(C)c1C(C)=O
InChIInChI=1S/C11H16N2O2/c1-5-8-9(7(3)14)6(2)13-10(8)11(15)12-4/h13H,5H2,1-4H3,(H,12,15)
InChIKeyLCSLEHAEHBSCSA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.45
Rot. Bonds3

About 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 47265390) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID47265390
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC)[nH]c(C)c1C(C)=O
InChIInChI=1S/C11H16N2O2/c1-5-8-9(7(3)14)6(2)13-10(8)11(15)12-4/h13H,5H2,1-4H3,(H,12,15)
InChIKeyLCSLEHAEHBSCSA-UHFFFAOYSA-N
XLogP1.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide (CID 47265390) is 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NC)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is LCSLEHAEHBSCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-5-8-9(7(3)14)6(2)13-10(8)11(15)12-4/h13H,5H2,1-4H3,(H,12,15).
What are the key properties of 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47265390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).