indol-2-ylidenemethanone

C9H5NO — CID 12913531

IUPACindol-2-ylidenemethanone
SMILESO=C=C1C=c2ccccc2=N1
InChIInChI=1S/C9H5NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-5H
InChIKeyYSMMOVBWZRIVPM-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.18
Rot. Bonds

About indol-2-ylidenemethanone

indol-2-ylidenemethanone (PubChem CID 12913531) has the molecular formula C9H5NO and a molecular weight of 143.14 g/mol. Its IUPAC name is indol-2-ylidenemethanone.

Molecular Properties

Compound Nameindol-2-ylidenemethanone
PubChem CID12913531
Molecular FormulaC9H5NO
Molecular Weight143.14 g/mol
Exact Mass143.04
IUPAC Nameindol-2-ylidenemethanone
SMILESO=C=C1C=c2ccccc2=N1
InChIInChI=1S/C9H5NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-5H
InChIKeyYSMMOVBWZRIVPM-UHFFFAOYSA-N
XLogP-0.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of indol-2-ylidenemethanone?
The IUPAC name of indol-2-ylidenemethanone (CID 12913531) is indol-2-ylidenemethanone.
What is the SMILES notation for indol-2-ylidenemethanone?
The canonical SMILES for indol-2-ylidenemethanone is O=C=C1C=c2ccccc2=N1.
What is the InChIKey of indol-2-ylidenemethanone?
The InChIKey is YSMMOVBWZRIVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-5H.
What are the key properties of indol-2-ylidenemethanone?
indol-2-ylidenemethanone has a molecular weight of 143.14 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indol-2-ylidenemethanone is sourced from PubChem (CID 12913531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).