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

C12H22N2O3 — CID 46878326

IUPAC1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCCO)C(C)(C)N1O
InChIInChI=1S/C12H22N2O3/c1-11(2)8-9(12(3,4)14(11)17)10(16)13-6-5-7-15/h8,15,17H,5-7H2,1-4H3,(H,13,16)
InChIKeyVALVOFHROXHQKA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.67
Rot. Bonds4

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

1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide (PubChem CID 46878326) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
PubChem CID46878326
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCCO)C(C)(C)N1O
InChIInChI=1S/C12H22N2O3/c1-11(2)8-9(12(3,4)14(11)17)10(16)13-6-5-7-15/h8,15,17H,5-7H2,1-4H3,(H,13,16)
InChIKeyVALVOFHROXHQKA-UHFFFAOYSA-N
XLogP0.67
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The IUPAC name of 1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide (CID 46878326) is 1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The canonical SMILES for 1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide is CC1(C)C=C(C(=O)NCCCO)C(C)(C)N1O.
What is the InChIKey of 1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The InChIKey is VALVOFHROXHQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2)8-9(12(3,4)14(11)17)10(16)13-6-5-7-15/h8,15,17H,5-7H2,1-4H3,(H,13,16).
What are the key properties of 1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(3-hydroxypropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide is sourced from PubChem (CID 46878326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).