1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde

C11H13NO2 — CID 117202549

IUPAC1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde
SMILESCCN1CC(C=O)c2cc(O)ccc21
InChIInChI=1S/C11H13NO2/c1-2-12-6-8(7-13)10-5-9(14)3-4-11(10)12/h3-5,7-8,14H,2,6H2,1H3
InChIKeyIQMUZKCRFKVOST-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.51
Rot. Bonds2

About 1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde

1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde (PubChem CID 117202549) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde
PubChem CID117202549
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde
SMILESCCN1CC(C=O)c2cc(O)ccc21
InChIInChI=1S/C11H13NO2/c1-2-12-6-8(7-13)10-5-9(14)3-4-11(10)12/h3-5,7-8,14H,2,6H2,1H3
InChIKeyIQMUZKCRFKVOST-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-1-propan-2-yl-2,3-dihydroindole-3-carbaldehyde
CID 117202551
3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol
CID 117202604
2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde
CID 117202469
1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117201853
1-ethyl-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol
CID 25027908
2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid
CID 117201541
2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol
CID 82229483
2-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)acetaldehyde
CID 117203691
7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde
CID 174637124
(2R)-1-ethyl-2-methyl-3,4-dihydro-2H-quinolin-6-ol
CID 99907724
2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117201885
1-ethyl-2,3-dihydroindol-6-ol
CID 23082698

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde?
The IUPAC name of 1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde (CID 117202549) is 1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde?
The canonical SMILES for 1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde is CCN1CC(C=O)c2cc(O)ccc21.
What is the InChIKey of 1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde?
The InChIKey is IQMUZKCRFKVOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-12-6-8(7-13)10-5-9(14)3-4-11(10)12/h3-5,7-8,14H,2,6H2,1H3.
What are the key properties of 1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde?
1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde is sourced from PubChem (CID 117202549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).