1-ethyl-2-methylindole-4-carbaldehyde

C12H13NO — CID 117204242

IUPAC1-ethyl-2-methylindole-4-carbaldehyde
SMILESCCn1c(C)cc2c(C=O)cccc21
InChIInChI=1S/C12H13NO/c1-3-13-9(2)7-11-10(8-14)5-4-6-12(11)13/h4-8H,3H2,1-2H3
InChIKeyIJDAYLHCMQGDJH-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.78
Rot. Bonds2

About 1-ethyl-2-methylindole-4-carbaldehyde

1-ethyl-2-methylindole-4-carbaldehyde (PubChem CID 117204242) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-ethyl-2-methylindole-4-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-2-methylindole-4-carbaldehyde
PubChem CID117204242
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-ethyl-2-methylindole-4-carbaldehyde
SMILESCCn1c(C)cc2c(C=O)cccc21
InChIInChI=1S/C12H13NO/c1-3-13-9(2)7-11-10(8-14)5-4-6-12(11)13/h4-8H,3H2,1-2H3
InChIKeyIJDAYLHCMQGDJH-UHFFFAOYSA-N
XLogP2.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-ethylcarbazole-2,3-dicarbaldehyde
CID 174480322
buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene
CID 143459715
2-(4-bromo-2-methylindol-1-yl)acetaldehyde
CID 83843794
1-ethyl-2-methyl-4-phenylmethoxyindole
CID 143459562
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
2-oxo-1-propylquinoline-4-carbaldehyde
CID 88586782
7-methylnaphthalene-1-carbaldehyde
CID 15657410
ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid
CID 145147292
1-ethyl-3-fluoroindole-2-carbaldehyde
CID 89272565
5-ethylbenzo[b]carbazole-6-carbaldehyde
CID 14770234
1-(ethoxymethyl)indole-4-carbaldehyde
CID 65369266
9-ethylpyrido[3,4-b]indole-3-carbaldehyde
CID 58443257

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylindole-4-carbaldehyde?
The IUPAC name of 1-ethyl-2-methylindole-4-carbaldehyde (CID 117204242) is 1-ethyl-2-methylindole-4-carbaldehyde.
What is the SMILES notation for 1-ethyl-2-methylindole-4-carbaldehyde?
The canonical SMILES for 1-ethyl-2-methylindole-4-carbaldehyde is CCn1c(C)cc2c(C=O)cccc21.
What is the InChIKey of 1-ethyl-2-methylindole-4-carbaldehyde?
The InChIKey is IJDAYLHCMQGDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-13-9(2)7-11-10(8-14)5-4-6-12(11)13/h4-8H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylindole-4-carbaldehyde?
1-ethyl-2-methylindole-4-carbaldehyde has a molecular weight of 187.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylindole-4-carbaldehyde is sourced from PubChem (CID 117204242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).