(3-methoxyindol-2-ylidene)methanone

C10H7NO2 — CID 20508739

IUPAC(3-methoxyindol-2-ylidene)methanone
SMILESCOC1=c2ccccc2=NC1=C=O
InChIInChI=1S/C10H7NO2/c1-13-10-7-4-2-3-5-8(7)11-9(10)6-12/h2-5H,1H3
InChIKeyOXEDUTWOLLDHOE-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.21
Rot. Bonds1

About (3-methoxyindol-2-ylidene)methanone

(3-methoxyindol-2-ylidene)methanone (PubChem CID 20508739) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is (3-methoxyindol-2-ylidene)methanone.

Molecular Properties

Compound Name(3-methoxyindol-2-ylidene)methanone
PubChem CID20508739
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name(3-methoxyindol-2-ylidene)methanone
SMILESCOC1=c2ccccc2=NC1=C=O
InChIInChI=1S/C10H7NO2/c1-13-10-7-4-2-3-5-8(7)11-9(10)6-12/h2-5H,1H3
InChIKeyOXEDUTWOLLDHOE-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
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 (3-methoxyindol-2-ylidene)methanone?
The IUPAC name of (3-methoxyindol-2-ylidene)methanone (CID 20508739) is (3-methoxyindol-2-ylidene)methanone.
What is the SMILES notation for (3-methoxyindol-2-ylidene)methanone?
The canonical SMILES for (3-methoxyindol-2-ylidene)methanone is COC1=c2ccccc2=NC1=C=O.
What is the InChIKey of (3-methoxyindol-2-ylidene)methanone?
The InChIKey is OXEDUTWOLLDHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c1-13-10-7-4-2-3-5-8(7)11-9(10)6-12/h2-5H,1H3.
What are the key properties of (3-methoxyindol-2-ylidene)methanone?
(3-methoxyindol-2-ylidene)methanone has a molecular weight of 173.17 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyindol-2-ylidene)methanone is sourced from PubChem (CID 20508739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).