1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one

C13H17NO2 — CID 117199127

IUPAC1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
SMILESCCN1c2cccc(O)c2CC1CC(C)=O
InChIInChI=1S/C13H17NO2/c1-3-14-10(7-9(2)15)8-11-12(14)5-4-6-13(11)16/h4-6,10,16H,3,7-8H2,1-2H3
InChIKeyOMHRGVCWIWJSEM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.12
Rot. Bonds3

About 1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one

1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one (PubChem CID 117199127) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
PubChem CID117199127
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
SMILESCCN1c2cccc(O)c2CC1CC(C)=O
InChIInChI=1S/C13H17NO2/c1-3-14-10(7-9(2)15)8-11-12(14)5-4-6-13(11)16/h4-6,10,16H,3,7-8H2,1-2H3
InChIKeyOMHRGVCWIWJSEM-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol
CID 117199118
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
CID 117198847
1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one
CID 117202850
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
3-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117198876
(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
CID 117198344
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
CID 117199162
2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol
CID 117199159
3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117198830
2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid
CID 117201541
1-benzyl-2-methyl-2,3-dihydroindol-4-ol
CID 70918044

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one?
The IUPAC name of 1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one (CID 117199127) is 1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one?
The canonical SMILES for 1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one is CCN1c2cccc(O)c2CC1CC(C)=O.
What is the InChIKey of 1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one?
The InChIKey is OMHRGVCWIWJSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-14-10(7-9(2)15)8-11-12(14)5-4-6-13(11)16/h4-6,10,16H,3,7-8H2,1-2H3.
What are the key properties of 1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one?
1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one is sourced from PubChem (CID 117199127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).