indole-2-carbaldehyde

C9H5NO — CID 57311065

IUPACindole-2-carbaldehyde
SMILESO=CC1=C=c2ccccc2=N1
InChIInChI=1S/C9H5NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-4,6H
InChIKeyUIDHUYWZVNEJRE-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.22
Rot. Bonds1

About indole-2-carbaldehyde

indole-2-carbaldehyde (PubChem CID 57311065) has the molecular formula C9H5NO and a molecular weight of 143.14 g/mol. Its IUPAC name is indole-2-carbaldehyde.

Molecular Properties

Compound Nameindole-2-carbaldehyde
PubChem CID57311065
Molecular FormulaC9H5NO
Molecular Weight143.14 g/mol
Exact Mass143.04
IUPAC Nameindole-2-carbaldehyde
SMILESO=CC1=C=c2ccccc2=N1
InChIInChI=1S/C9H5NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-4,6H
InChIKeyUIDHUYWZVNEJRE-UHFFFAOYSA-N
XLogP-0.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.22
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 indole-2-carbaldehyde?
The IUPAC name of indole-2-carbaldehyde (CID 57311065) is indole-2-carbaldehyde.
What is the SMILES notation for indole-2-carbaldehyde?
The canonical SMILES for indole-2-carbaldehyde is O=CC1=C=c2ccccc2=N1.
What is the InChIKey of indole-2-carbaldehyde?
The InChIKey is UIDHUYWZVNEJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-4,6H.
What are the key properties of indole-2-carbaldehyde?
indole-2-carbaldehyde has a molecular weight of 143.14 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indole-2-carbaldehyde is sourced from PubChem (CID 57311065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).