7-ethyl-1,3-dimethylindole-2-carbaldehyde

C13H15NO — CID 82491522

IUPAC7-ethyl-1,3-dimethylindole-2-carbaldehyde
SMILESCCc1cccc2c(C)c(C=O)n(C)c12
InChIInChI=1S/C13H15NO/c1-4-10-6-5-7-11-9(2)12(8-15)14(3)13(10)11/h5-8H,4H2,1-3H3
InChIKeyLSAKAYLAOWMFHJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.86
Rot. Bonds2

About 7-ethyl-1,3-dimethylindole-2-carbaldehyde

7-ethyl-1,3-dimethylindole-2-carbaldehyde (PubChem CID 82491522) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 7-ethyl-1,3-dimethylindole-2-carbaldehyde.

Molecular Properties

Compound Name7-ethyl-1,3-dimethylindole-2-carbaldehyde
PubChem CID82491522
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name7-ethyl-1,3-dimethylindole-2-carbaldehyde
SMILESCCc1cccc2c(C)c(C=O)n(C)c12
InChIInChI=1S/C13H15NO/c1-4-10-6-5-7-11-9(2)12(8-15)14(3)13(10)11/h5-8H,4H2,1-3H3
InChIKeyLSAKAYLAOWMFHJ-UHFFFAOYSA-N
XLogP2.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-1,3-dimethylindole-2-carbaldehyde
CID 82491728
2-formyl-1,3-dimethylindole-7-carbonitrile
CID 105451423
1-ethyl-9-methylcarbazole
CID 21455608
8-ethyl-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84637259
7-ethyl-1,2-dimethylindole-3-carboxylic acid
CID 82493307
2-(7-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495320
4-(7-ethyl-1,2-dimethylindol-3-yl)butan-2-one
CID 82497423
5-hydroxy-1,3,7-trimethylindole-2-carbaldehyde
CID 105455218
1,3,4-trimethylindole-2-carbaldehyde
CID 105442636
1-[1-(7-ethyl-1,2-dimethylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84636329
1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82500433
5-(7-ethyl-1,2-dimethylindol-3-yl)-1,2-oxazol-3-amine
CID 84742263

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,3-dimethylindole-2-carbaldehyde?
The IUPAC name of 7-ethyl-1,3-dimethylindole-2-carbaldehyde (CID 82491522) is 7-ethyl-1,3-dimethylindole-2-carbaldehyde.
What is the SMILES notation for 7-ethyl-1,3-dimethylindole-2-carbaldehyde?
The canonical SMILES for 7-ethyl-1,3-dimethylindole-2-carbaldehyde is CCc1cccc2c(C)c(C=O)n(C)c12.
What is the InChIKey of 7-ethyl-1,3-dimethylindole-2-carbaldehyde?
The InChIKey is LSAKAYLAOWMFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-10-6-5-7-11-9(2)12(8-15)14(3)13(10)11/h5-8H,4H2,1-3H3.
What are the key properties of 7-ethyl-1,3-dimethylindole-2-carbaldehyde?
7-ethyl-1,3-dimethylindole-2-carbaldehyde has a molecular weight of 201.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,3-dimethylindole-2-carbaldehyde is sourced from PubChem (CID 82491522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).