1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one

C14H19NO2 — CID 82172383

IUPAC1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one
SMILESCCN1C(=O)C(C)(C)c2cc(C(C)O)ccc21
InChIInChI=1S/C14H19NO2/c1-5-15-12-7-6-10(9(2)16)8-11(12)14(3,4)13(15)17/h6-9,16H,5H2,1-4H3
InChIKeyLBFYIJJGSQPUPV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds2

About 1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one

1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one (PubChem CID 82172383) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one
PubChem CID82172383
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one
SMILESCCN1C(=O)C(C)(C)c2cc(C(C)O)ccc21
InChIInChI=1S/C14H19NO2/c1-5-15-12-7-6-10(9(2)16)8-11(12)14(3,4)13(15)17/h6-9,16H,5H2,1-4H3
InChIKeyLBFYIJJGSQPUPV-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one
CID 82172385
5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one
CID 82172369
5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one
CID 82172377
1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one
CID 84758391
5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one
CID 82172376
5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one
CID 82172350
N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide
CID 168651738
(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)thiourea
CID 169359553
5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one
CID 82172354
1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 82176086
1-ethyl-5-(ethylsulfamoylamino)-3,3-dimethylindol-2-one
CID 125499834
4-ethyl-2,2-dimethyl-7-propan-2-yl-1,4-benzoxazin-3-one
CID 59333179

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one?
The IUPAC name of 1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one (CID 82172383) is 1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one?
The canonical SMILES for 1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one is CCN1C(=O)C(C)(C)c2cc(C(C)O)ccc21.
What is the InChIKey of 1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one?
The InChIKey is LBFYIJJGSQPUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-15-12-7-6-10(9(2)16)8-11(12)14(3,4)13(15)17/h6-9,16H,5H2,1-4H3.
What are the key properties of 1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one?
1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one is sourced from PubChem (CID 82172383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).