2-(1-ethylindol-5-yl)acetaldehyde

C12H13NO — CID 115106765

IUPAC2-(1-ethylindol-5-yl)acetaldehyde
SMILESCCn1ccc2cc(CC=O)ccc21
InChIInChI=1S/C12H13NO/c1-2-13-7-5-11-9-10(6-8-14)3-4-12(11)13/h3-5,7-9H,2,6H2,1H3
InChIKeyXGPUFZQXMRQDDF-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.40
Rot. Bonds3

About 2-(1-ethylindol-5-yl)acetaldehyde

2-(1-ethylindol-5-yl)acetaldehyde (PubChem CID 115106765) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(1-ethylindol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-ethylindol-5-yl)acetaldehyde
PubChem CID115106765
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(1-ethylindol-5-yl)acetaldehyde
SMILESCCn1ccc2cc(CC=O)ccc21
InChIInChI=1S/C12H13NO/c1-2-13-7-5-11-9-10(6-8-14)3-4-12(11)13/h3-5,7-9H,2,6H2,1H3
InChIKeyXGPUFZQXMRQDDF-UHFFFAOYSA-N
XLogP2.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.40
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

CID 69068244
CID 69068244
5-chloro-1-ethylindole;ethyl formate
CID 174344649
3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71819831
ethane;ethyl formate;1-ethylindol-5-ol
CID 142952084
1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170863995
1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
CID 102910740
2-(5-methylindol-1-yl)acetaldehyde
CID 63554780
(1-ethylindol-5-yl) hypoiodite
CID 23151406
2-(1-ethyl-3-methylindol-6-yl)acetaldehyde
CID 117204948
1-ethyl-5-[(4-methylphenyl)methoxy]indole
CID 141116248
3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one
CID 71840841
(1-ethylindol-5-yl) acetate
CID 57170525

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-5-yl)acetaldehyde?
The IUPAC name of 2-(1-ethylindol-5-yl)acetaldehyde (CID 115106765) is 2-(1-ethylindol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(1-ethylindol-5-yl)acetaldehyde?
The canonical SMILES for 2-(1-ethylindol-5-yl)acetaldehyde is CCn1ccc2cc(CC=O)ccc21.
What is the InChIKey of 2-(1-ethylindol-5-yl)acetaldehyde?
The InChIKey is XGPUFZQXMRQDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-13-7-5-11-9-10(6-8-14)3-4-12(11)13/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 2-(1-ethylindol-5-yl)acetaldehyde?
2-(1-ethylindol-5-yl)acetaldehyde has a molecular weight of 187.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-5-yl)acetaldehyde is sourced from PubChem (CID 115106765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).