1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide

C11H18N2O2 — CID 4188362

IUPAC1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC(=O)N1C(C)(C)C=C(C(N)=O)C1(C)C
InChIInChI=1S/C11H18N2O2/c1-7(14)13-10(2,3)6-8(9(12)15)11(13,4)5/h6H,1-5H3,(H2,12,15)
InChIKeyIHLKBXBCPPDBEE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.82
Rot. Bonds1

About 1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide

1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide (PubChem CID 4188362) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide
PubChem CID4188362
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC(=O)N1C(C)(C)C=C(C(N)=O)C1(C)C
InChIInChI=1S/C11H18N2O2/c1-7(14)13-10(2,3)6-8(9(12)15)11(13,4)5/h6H,1-5H3,(H2,12,15)
InChIKeyIHLKBXBCPPDBEE-UHFFFAOYSA-N
XLogP0.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The IUPAC name of 1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide (CID 4188362) is 1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The canonical SMILES for 1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide is CC(=O)N1C(C)(C)C=C(C(N)=O)C1(C)C.
What is the InChIKey of 1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The InChIKey is IHLKBXBCPPDBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(14)13-10(2,3)6-8(9(12)15)11(13,4)5/h6H,1-5H3,(H2,12,15).
What are the key properties of 1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide?
1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,2,5,5-tetramethylpyrrole-3-carboxamide is sourced from PubChem (CID 4188362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).