1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide

C11H20N2O3 — CID 46878307

IUPAC1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCO)C(C)(C)N1O
InChIInChI=1S/C11H20N2O3/c1-10(2)7-8(9(15)12-5-6-14)11(3,4)13(10)16/h7,14,16H,5-6H2,1-4H3,(H,12,15)
InChIKeySRTHNWOPLHRAAA-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.28
Rot. Bonds3

About 1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide

1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide (PubChem CID 46878307) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
PubChem CID46878307
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCO)C(C)(C)N1O
InChIInChI=1S/C11H20N2O3/c1-10(2)7-8(9(15)12-5-6-14)11(3,4)13(10)16/h7,14,16H,5-6H2,1-4H3,(H,12,15)
InChIKeySRTHNWOPLHRAAA-UHFFFAOYSA-N
XLogP0.28
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The IUPAC name of 1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide (CID 46878307) is 1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The canonical SMILES for 1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide is CC1(C)C=C(C(=O)NCCO)C(C)(C)N1O.
What is the InChIKey of 1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The InChIKey is SRTHNWOPLHRAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2)7-8(9(15)12-5-6-14)11(3,4)13(10)16/h7,14,16H,5-6H2,1-4H3,(H,12,15).
What are the key properties of 1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(2-hydroxyethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide is sourced from PubChem (CID 46878307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).