2-(oxomethylidene)indole-5-carbaldehyde

C10H5NO2 — CID 150437991

IUPAC2-(oxomethylidene)indole-5-carbaldehyde
SMILESO=C=C1C=c2cc(C=O)ccc2=N1
InChIInChI=1S/C10H5NO2/c12-5-7-1-2-10-8(3-7)4-9(6-13)11-10/h1-5H
InChIKeyHLEBVYLORSERER-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.37
Rot. Bonds1

About 2-(oxomethylidene)indole-5-carbaldehyde

2-(oxomethylidene)indole-5-carbaldehyde (PubChem CID 150437991) has the molecular formula C10H5NO2 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-(oxomethylidene)indole-5-carbaldehyde.

Molecular Properties

Compound Name2-(oxomethylidene)indole-5-carbaldehyde
PubChem CID150437991
Molecular FormulaC10H5NO2
Molecular Weight171.15 g/mol
Exact Mass171.03
IUPAC Name2-(oxomethylidene)indole-5-carbaldehyde
SMILESO=C=C1C=c2cc(C=O)ccc2=N1
InChIInChI=1S/C10H5NO2/c12-5-7-1-2-10-8(3-7)4-9(6-13)11-10/h1-5H
InChIKeyHLEBVYLORSERER-UHFFFAOYSA-N
XLogP-0.37
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxomethylidene)indole-5-carbaldehyde?
The IUPAC name of 2-(oxomethylidene)indole-5-carbaldehyde (CID 150437991) is 2-(oxomethylidene)indole-5-carbaldehyde.
What is the SMILES notation for 2-(oxomethylidene)indole-5-carbaldehyde?
The canonical SMILES for 2-(oxomethylidene)indole-5-carbaldehyde is O=C=C1C=c2cc(C=O)ccc2=N1.
What is the InChIKey of 2-(oxomethylidene)indole-5-carbaldehyde?
The InChIKey is HLEBVYLORSERER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO2/c12-5-7-1-2-10-8(3-7)4-9(6-13)11-10/h1-5H.
What are the key properties of 2-(oxomethylidene)indole-5-carbaldehyde?
2-(oxomethylidene)indole-5-carbaldehyde has a molecular weight of 171.15 g/mol, XLogP of -0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxomethylidene)indole-5-carbaldehyde is sourced from PubChem (CID 150437991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).