2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde

C13H15NO — CID 6789

IUPAC2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde
SMILESCN1C(=CC=O)C(C)(C)c2ccccc21
InChIInChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3
InChIKeyGCECACVNILMTRD-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.50
Rot. Bonds1

About 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde

2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde (PubChem CID 6789) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde.

Molecular Properties

Compound Name2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde
PubChem CID6789
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde
SMILESCN1C(=CC=O)C(C)(C)c2ccccc21
InChIInChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3
InChIKeyGCECACVNILMTRD-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde?
The IUPAC name of 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde (CID 6789) is 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde.
What is the SMILES notation for 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde?
The canonical SMILES for 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde is CN1C(=CC=O)C(C)(C)c2ccccc21.
What is the InChIKey of 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde?
The InChIKey is GCECACVNILMTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3.
What are the key properties of 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde?
2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde has a molecular weight of 201.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde is sourced from PubChem (CID 6789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).