2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde

C11H11NO2 — CID 142946581

IUPAC2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde
SMILESCc1ccc2c(c1)CC(=O)N2CC=O
InChIInChI=1S/C11H11NO2/c1-8-2-3-10-9(6-8)7-11(14)12(10)4-5-13/h2-3,5-6H,4,7H2,1H3
InChIKeyKHQLRXYPUQEAHP-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.08
Rot. Bonds2

About 2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde

2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde (PubChem CID 142946581) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde
PubChem CID142946581
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde
SMILESCc1ccc2c(c1)CC(=O)N2CC=O
InChIInChI=1S/C11H11NO2/c1-8-2-3-10-9(6-8)7-11(14)12(10)4-5-13/h2-3,5-6H,4,7H2,1H3
InChIKeyKHQLRXYPUQEAHP-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.08
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-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde?
The IUPAC name of 2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde (CID 142946581) is 2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde is Cc1ccc2c(c1)CC(=O)N2CC=O.
What is the InChIKey of 2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde?
The InChIKey is KHQLRXYPUQEAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-2-3-10-9(6-8)7-11(14)12(10)4-5-13/h2-3,5-6H,4,7H2,1H3.
What are the key properties of 2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde?
2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde has a molecular weight of 189.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde is sourced from PubChem (CID 142946581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).