2-(1H-indol-3-yl)acetaldehyde

C10H9NO — CID 800

IUPAC2-(1H-indol-3-yl)acetaldehyde
SMILESO=CCc1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2
InChIKeyWHOOUMGHGSPMGR-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.91
Rot. Bonds2

About 2-(1H-indol-3-yl)acetaldehyde

2-(1H-indol-3-yl)acetaldehyde (PubChem CID 800) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1H-indol-3-yl)acetaldehyde
PubChem CID800
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-(1H-indol-3-yl)acetaldehyde
SMILESO=CCc1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2
InChIKeyWHOOUMGHGSPMGR-UHFFFAOYSA-N
XLogP1.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.91
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 2-(1H-indol-3-yl)acetaldehyde?
The IUPAC name of 2-(1H-indol-3-yl)acetaldehyde (CID 800) is 2-(1H-indol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(1H-indol-3-yl)acetaldehyde?
The canonical SMILES for 2-(1H-indol-3-yl)acetaldehyde is O=CCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)acetaldehyde?
The InChIKey is WHOOUMGHGSPMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2.
What are the key properties of 2-(1H-indol-3-yl)acetaldehyde?
2-(1H-indol-3-yl)acetaldehyde has a molecular weight of 159.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)acetaldehyde is sourced from PubChem (CID 800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).