1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one

C16H23NO2 — CID 82172385

IUPAC1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one
SMILESCCN1C(=O)C(C)(C)c2cc(C(O)C(C)C)ccc21
InChIInChI=1S/C16H23NO2/c1-6-17-13-8-7-11(14(18)10(2)3)9-12(13)16(4,5)15(17)19/h7-10,14,18H,6H2,1-5H3
InChIKeySGDUOECRQFZBCX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds3

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

1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one (PubChem CID 82172385) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one
PubChem CID82172385
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one
SMILESCCN1C(=O)C(C)(C)c2cc(C(O)C(C)C)ccc21
InChIInChI=1S/C16H23NO2/c1-6-17-13-8-7-11(14(18)10(2)3)9-12(13)16(4,5)15(17)19/h7-10,14,18H,6H2,1-5H3
InChIKeySGDUOECRQFZBCX-UHFFFAOYSA-N
XLogP3.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-(1-hydroxyethyl)-3,3-dimethylindol-2-one
CID 82172383
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
5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride
CID 70421420
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-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one?
The IUPAC name of 1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one (CID 82172385) is 1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one?
The canonical SMILES for 1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one is CCN1C(=O)C(C)(C)c2cc(C(O)C(C)C)ccc21.
What is the InChIKey of 1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one?
The InChIKey is SGDUOECRQFZBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-17-13-8-7-11(14(18)10(2)3)9-12(13)16(4,5)15(17)19/h7-10,14,18H,6H2,1-5H3.
What are the key properties of 1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one?
1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one has a molecular weight of 261.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(1-hydroxy-2-methylpropyl)-3,3-dimethylindol-2-one is sourced from PubChem (CID 82172385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).