2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde

C12H15NO2 — CID 175078685

IUPAC2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde
SMILESCN1c2ccccc2C(C)(C)C1(O)C=O
InChIInChI=1S/C12H15NO2/c1-11(2)9-6-4-5-7-10(9)13(3)12(11,15)8-14/h4-8,15H,1-3H3
InChIKeyLOMXTMRQQWHJBN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.30
Rot. Bonds1

About 2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde

2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde (PubChem CID 175078685) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde
PubChem CID175078685
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde
SMILESCN1c2ccccc2C(C)(C)C1(O)C=O
InChIInChI=1S/C12H15NO2/c1-11(2)9-6-4-5-7-10(9)13(3)12(11,15)8-14/h4-8,15H,1-3H3
InChIKeyLOMXTMRQQWHJBN-UHFFFAOYSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde?
The IUPAC name of 2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde (CID 175078685) is 2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde.
What is the SMILES notation for 2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde?
The canonical SMILES for 2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde is CN1c2ccccc2C(C)(C)C1(O)C=O.
What is the InChIKey of 2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde?
The InChIKey is LOMXTMRQQWHJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-11(2)9-6-4-5-7-10(9)13(3)12(11,15)8-14/h4-8,15H,1-3H3.
What are the key properties of 2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde?
2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde is sourced from PubChem (CID 175078685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).