1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone

C10H11NO2 — CID 19598465

IUPAC1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2c(O)cccc21
InChIInChI=1S/C10H11NO2/c1-7(12)11-6-5-8-9(11)3-2-4-10(8)13/h2-4,13H,5-6H2,1H3
InChIKeyMOCNHZXRXZCZKR-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.30
Rot. Bonds

About 1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone

1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone (PubChem CID 19598465) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
PubChem CID19598465
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2c(O)cccc21
InChIInChI=1S/C10H11NO2/c1-7(12)11-6-5-8-9(11)3-2-4-10(8)13/h2-4,13H,5-6H2,1H3
InChIKeyMOCNHZXRXZCZKR-UHFFFAOYSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
1-acetyl-2,3-dihydroindole-4-carbonitrile
CID 82655574
2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 87126610
1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 123314789
1-[4-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014569
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
CID 84713660
1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone
CID 117362996
1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118075867
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82506712
1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 82380433
1-[4-(1-isocyanatocyclobutyl)-2,3-dihydroindol-1-yl]ethanone
CID 117394206

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone (CID 19598465) is 1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2c(O)cccc21.
What is the InChIKey of 1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is MOCNHZXRXZCZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7(12)11-6-5-8-9(11)3-2-4-10(8)13/h2-4,13H,5-6H2,1H3.
What are the key properties of 1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone?
1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 177.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 19598465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).