2-(7H-indol-2-yl)acetaldehyde

C10H9NO — CID 87427885

IUPAC2-(7H-indol-2-yl)acetaldehyde
SMILESO=CCC1=CC2=CC=CCC2=N1
InChIInChI=1S/C10H9NO/c12-6-5-9-7-8-3-1-2-4-10(8)11-9/h1-3,6-7H,4-5H2
InChIKeyXTTQCCPPXKBYDF-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.80
Rot. Bonds2

About 2-(7H-indol-2-yl)acetaldehyde

2-(7H-indol-2-yl)acetaldehyde (PubChem CID 87427885) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(7H-indol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7H-indol-2-yl)acetaldehyde
PubChem CID87427885
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-(7H-indol-2-yl)acetaldehyde
SMILESO=CCC1=CC2=CC=CCC2=N1
InChIInChI=1S/C10H9NO/c12-6-5-9-7-8-3-1-2-4-10(8)11-9/h1-3,6-7H,4-5H2
InChIKeyXTTQCCPPXKBYDF-UHFFFAOYSA-N
XLogP1.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(7H-indol-2-yl)acetaldehyde?
The IUPAC name of 2-(7H-indol-2-yl)acetaldehyde (CID 87427885) is 2-(7H-indol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(7H-indol-2-yl)acetaldehyde?
The canonical SMILES for 2-(7H-indol-2-yl)acetaldehyde is O=CCC1=CC2=CC=CCC2=N1.
What is the InChIKey of 2-(7H-indol-2-yl)acetaldehyde?
The InChIKey is XTTQCCPPXKBYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-6-5-9-7-8-3-1-2-4-10(8)11-9/h1-3,6-7H,4-5H2.
What are the key properties of 2-(7H-indol-2-yl)acetaldehyde?
2-(7H-indol-2-yl)acetaldehyde has a molecular weight of 159.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-indol-2-yl)acetaldehyde is sourced from PubChem (CID 87427885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).