1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one

C13H17NO2 — CID 22116112

IUPAC1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one
SMILESCc1cccc2c1C(C)(C)C(=O)N2CCO
InChIInChI=1S/C13H17NO2/c1-9-5-4-6-10-11(9)13(2,3)12(16)14(10)7-8-15/h4-6,15H,7-8H2,1-3H3
InChIKeyFAUFDBBIRLDPAB-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.61
Rot. Bonds2

About 1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one

1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one (PubChem CID 22116112) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one
PubChem CID22116112
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one
SMILESCc1cccc2c1C(C)(C)C(=O)N2CCO
InChIInChI=1S/C13H17NO2/c1-9-5-4-6-10-11(9)13(2,3)12(16)14(10)7-8-15/h4-6,15H,7-8H2,1-3H3
InChIKeyFAUFDBBIRLDPAB-UHFFFAOYSA-N
XLogP1.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3,3,4-tris(methylamino)indol-2-one
CID 174379879
methyl 3,3,4-trimethyl-2-oxoindole-1-carboxylate
CID 175389739
2,2-diethyl-4-(2-hydroxyethyl)-1,4-benzoxazin-3-one
CID 82162170
5-acetyl-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one
CID 84758344
3,3-difluoro-1,4-dimethylindol-2-one;ethane
CID 164860376
2-(2-hydroxyethyl)-5-methylisoquinolin-1-one
CID 58270417
1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one
CID 84758391
4-(2-hydroxyethyl)-7-(hydroxymethyl)-2,2-dimethyl-1,4-benzoxazin-3-one
CID 82338544
2-(4-methyl-2,3-dihydroindol-1-yl)ethanol
CID 131065584
1,2,2,3,3,4-hexamethylindole
CID 151055641
1-(3-bromopropyl)-3,3-dimethylindol-2-one
CID 15881759
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one (CID 22116112) is 1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one is Cc1cccc2c1C(C)(C)C(=O)N2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one?
The InChIKey is FAUFDBBIRLDPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-5-4-6-10-11(9)13(2,3)12(16)14(10)7-8-15/h4-6,15H,7-8H2,1-3H3.
What are the key properties of 1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one?
1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one is sourced from PubChem (CID 22116112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).