2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole

C50H100N4O5 — CID 145262782

About 2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole

2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole (PubChem CID 145262782) has the molecular formula C50H100N4O5 and a molecular weight of 837.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole
• PubChem CID: 145262782
• Molecular Formula: C50H100N4O5
• Molecular Weight: 837.37 g/mol
• Exact Mass: 836.77
• IUPAC Name: 2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole
• SMILES: CC.CC.CC(C)CC(=O)NC1CC(C)(C)N(O)C1(C)C.CCC1(CC)C=C(C(=O)C(C)(C)C)C(CC)(CC)N1O.CCC1(CC)C=C(CC(C)C)C(CC)(CC)N1O
• InChI: InChI=1S/C17H31NO2.C16H31NO.C13H26N2O2.2C2H6/c1-8-16(9-2)12-13(14(19)15(5,6)7)17(10-3,11-4)18(16)20;1-7-15(8-2)12-14(11-13(5)6)16(9-3,10-4)17(15)18;1-9(2)7-11(16)14-10-8-12(3,4)15(17)13(10,5)6;2*1-2/h12,20H,8-11H2,1-7H3;12-13,18H,7-11H2,1-6H3;9-10,17H,7-8H2,1-6H3,(H,14,16);2*1-2H3
• InChIKey: BGMOVMRCJMYHGD-UHFFFAOYSA-N
• XLogP: 13.35
• TPSA: 116.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.37
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole?

The IUPAC name of 2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole (CID 145262782) is 2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole.

What is the SMILES notation for 2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole?

The canonical SMILES for 2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole is CC.CC.CC(C)CC(=O)NC1CC(C)(C)N(O)C1(C)C.CCC1(CC)C=C(C(=O)C(C)(C)C)C(CC)(CC)N1O.CCC1(CC)C=C(CC(C)C)C(CC)(CC)N1O.

What is the InChIKey of 2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole?

The InChIKey is BGMOVMRCJMYHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2.C16H31NO.C13H26N2O2.2C2H6/c1-8-16(9-2)12-13(14(19)15(5,6)7)17(10-3,11-4)18(16)20;1-7-15(8-2)12-14(11-13(5)6)16(9-3,10-4)17(15)18;1-9(2)7-11(16)14-10-8-12(3,4)15(17)13(10,5)6;2*1-2/h12,20H,8-11H2,1-7H3;12-13,18H,7-11H2,1-6H3;9-10,17H,7-8H2,1-6H3,(H,14,16);2*1-2H3.

What are the key properties of 2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole?

2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole has a molecular weight of 837.37 g/mol, XLogP of 13.35, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-(2,2,5,5-tetraethyl-1-hydroxypyrrol-3-yl)propan-1-one;ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3-methylbutanamide;2,2,5,5-tetraethyl-1-hydroxy-3-(2-methylpropyl)pyrrole is sourced from PubChem (CID 145262782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).