3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one

C17H23NO2 — CID 139859792

IUPAC3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one
SMILESCc1cccc(C)c1C1=C(O)C(C)(C)N(C(C)C)C1=O
InChIInChI=1S/C17H23NO2/c1-10(2)18-16(20)14(15(19)17(18,5)6)13-11(3)8-7-9-12(13)4/h7-10,19H,1-6H3
InChIKeyGVVDCDVXSHXMJM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.60
Rot. Bonds2

About 3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one

3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one (PubChem CID 139859792) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one
PubChem CID139859792
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one
SMILESCc1cccc(C)c1C1=C(O)C(C)(C)N(C(C)C)C1=O
InChIInChI=1S/C17H23NO2/c1-10(2)18-16(20)14(15(19)17(18,5)6)13-11(3)8-7-9-12(13)4/h7-10,19H,1-6H3
InChIKeyGVVDCDVXSHXMJM-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one
CID 115095581
[4-(2,6-dimethylphenyl)-1-(1-methoxyethoxy)-2,2-dimethyl-5-oxopyrrol-3-yl] 1-methylcyclopropane-1-carboxylate
CID 139859895
3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one
CID 139859670
4,7-dimethyl-2-propan-2-ylisoindole-1,3-dione
CID 176633116
3-(2,6-dimethylphenyl)-4-methylpyrrole-2,5-dione
CID 68739689
2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 10198261
2-(2,6-dimethylphenyl)-4-ethoxy-1-hydroxy-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one
CID 101256781
2-hydroxy-4-methylisoindole-1,3-dione
CID 15893222
2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 159777739
3-(2,6-dimethylphenyl)-1,8-bis(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one
CID 139860097
2-(2,6-dimethylphenyl)-1-hydroxy-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one
CID 58220946
[3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
CID 139860160

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one?
The IUPAC name of 3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one (CID 139859792) is 3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one?
The canonical SMILES for 3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one is Cc1cccc(C)c1C1=C(O)C(C)(C)N(C(C)C)C1=O.
What is the InChIKey of 3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one?
The InChIKey is GVVDCDVXSHXMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-10(2)18-16(20)14(15(19)17(18,5)6)13-11(3)8-7-9-12(13)4/h7-10,19H,1-6H3.
What are the key properties of 3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one?
3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one is sourced from PubChem (CID 139859792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).