4-ethyl-2-methyl-1H-indole-3-carbaldehyde

C12H13NO — CID 88756486

IUPAC4-ethyl-2-methyl-1H-indole-3-carbaldehyde
SMILESCCc1cccc2[nH]c(C)c(C=O)c12
InChIInChI=1S/C12H13NO/c1-3-9-5-4-6-11-12(9)10(7-14)8(2)13-11/h4-7,13H,3H2,1-2H3
InChIKeyLULYTZBXCWEJTO-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.85
Rot. Bonds2

About 4-ethyl-2-methyl-1H-indole-3-carbaldehyde

4-ethyl-2-methyl-1H-indole-3-carbaldehyde (PubChem CID 88756486) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-2-methyl-1H-indole-3-carbaldehyde
PubChem CID88756486
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-ethyl-2-methyl-1H-indole-3-carbaldehyde
SMILESCCc1cccc2[nH]c(C)c(C=O)c12
InChIInChI=1S/C12H13NO/c1-3-9-5-4-6-11-12(9)10(7-14)8(2)13-11/h4-7,13H,3H2,1-2H3
InChIKeyLULYTZBXCWEJTO-UHFFFAOYSA-N
XLogP2.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 4-ethyl-2-methyl-1H-indole-3-carbaldehyde (CID 88756486) is 4-ethyl-2-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-ethyl-2-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-ethyl-2-methyl-1H-indole-3-carbaldehyde is CCc1cccc2[nH]c(C)c(C=O)c12.
What is the InChIKey of 4-ethyl-2-methyl-1H-indole-3-carbaldehyde?
The InChIKey is LULYTZBXCWEJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-9-5-4-6-11-12(9)10(7-14)8(2)13-11/h4-7,13H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-1H-indole-3-carbaldehyde?
4-ethyl-2-methyl-1H-indole-3-carbaldehyde has a molecular weight of 187.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 88756486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).