(6-methoxyindol-2-ylidene)methanone

C10H7NO2 — CID 88546887

IUPAC(6-methoxyindol-2-ylidene)methanone
SMILESCOc1ccc2c(c1)=NC(=C=O)C=2
InChIInChI=1S/C10H7NO2/c1-13-9-3-2-7-4-8(6-12)11-10(7)5-9/h2-5H,1H3
InChIKeyZJQZQLFOOARSSB-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.18
Rot. Bonds1

About (6-methoxyindol-2-ylidene)methanone

(6-methoxyindol-2-ylidene)methanone (PubChem CID 88546887) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is (6-methoxyindol-2-ylidene)methanone.

Molecular Properties

Compound Name(6-methoxyindol-2-ylidene)methanone
PubChem CID88546887
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name(6-methoxyindol-2-ylidene)methanone
SMILESCOc1ccc2c(c1)=NC(=C=O)C=2
InChIInChI=1S/C10H7NO2/c1-13-9-3-2-7-4-8(6-12)11-10(7)5-9/h2-5H,1H3
InChIKeyZJQZQLFOOARSSB-UHFFFAOYSA-N
XLogP-0.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-methoxyindol-2-ylidene)methanone?
The IUPAC name of (6-methoxyindol-2-ylidene)methanone (CID 88546887) is (6-methoxyindol-2-ylidene)methanone.
What is the SMILES notation for (6-methoxyindol-2-ylidene)methanone?
The canonical SMILES for (6-methoxyindol-2-ylidene)methanone is COc1ccc2c(c1)=NC(=C=O)C=2.
What is the InChIKey of (6-methoxyindol-2-ylidene)methanone?
The InChIKey is ZJQZQLFOOARSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c1-13-9-3-2-7-4-8(6-12)11-10(7)5-9/h2-5H,1H3.
What are the key properties of (6-methoxyindol-2-ylidene)methanone?
(6-methoxyindol-2-ylidene)methanone has a molecular weight of 173.17 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyindol-2-ylidene)methanone is sourced from PubChem (CID 88546887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).