2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde

C11H13NO2 — CID 117202469

IUPAC2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde
SMILESCN1CC(CC=O)c2cc(O)ccc21
InChIInChI=1S/C11H13NO2/c1-12-7-8(4-5-13)10-6-9(14)2-3-11(10)12/h2-3,5-6,8,14H,4,7H2,1H3
InChIKeyPVHZFAKPELVWCA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.51
Rot. Bonds2

About 2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde

2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde (PubChem CID 117202469) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde
PubChem CID117202469
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde
SMILESCN1CC(CC=O)c2cc(O)ccc21
InChIInChI=1S/C11H13NO2/c1-12-7-8(4-5-13)10-6-9(14)2-3-11(10)12/h2-3,5-6,8,14H,4,7H2,1H3
InChIKeyPVHZFAKPELVWCA-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

2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 83838175
2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid
CID 82276720
2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 45098204
1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde
CID 117202549
5-hydroxy-1-propan-2-yl-2,3-dihydroindole-3-carbaldehyde
CID 117202551
3-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202164
3-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202168
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
1-(1-methyl-5-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
CID 82277241
3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol
CID 117202604
N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 169244272
3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
CID 117202632

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde?
The IUPAC name of 2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde (CID 117202469) is 2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde is CN1CC(CC=O)c2cc(O)ccc21.
What is the InChIKey of 2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde?
The InChIKey is PVHZFAKPELVWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-7-8(4-5-13)10-6-9(14)2-3-11(10)12/h2-3,5-6,8,14H,4,7H2,1H3.
What are the key properties of 2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde?
2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde 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 2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde is sourced from PubChem (CID 117202469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).