(3-ethoxy-6-hydroxyindol-2-ylidene)methanone

C11H9NO3 — CID 176532767

IUPAC(3-ethoxy-6-hydroxyindol-2-ylidene)methanone
SMILESCCOC1=c2ccc(O)cc2=NC1=C=O
InChIInChI=1S/C11H9NO3/c1-2-15-11-8-4-3-7(14)5-9(8)12-10(11)6-13/h3-5,14H,2H2,1H3
InChIKeyRRGZALVXKXMEHG-UHFFFAOYSA-N
MW203.20 g/mol
LogP-0.11
Rot. Bonds2

About (3-ethoxy-6-hydroxyindol-2-ylidene)methanone

(3-ethoxy-6-hydroxyindol-2-ylidene)methanone (PubChem CID 176532767) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (3-ethoxy-6-hydroxyindol-2-ylidene)methanone.

Molecular Properties

Compound Name(3-ethoxy-6-hydroxyindol-2-ylidene)methanone
PubChem CID176532767
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(3-ethoxy-6-hydroxyindol-2-ylidene)methanone
SMILESCCOC1=c2ccc(O)cc2=NC1=C=O
InChIInChI=1S/C11H9NO3/c1-2-15-11-8-4-3-7(14)5-9(8)12-10(11)6-13/h3-5,14H,2H2,1H3
InChIKeyRRGZALVXKXMEHG-UHFFFAOYSA-N
XLogP-0.11
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-carbonylindole
CID 20508739
Indolooxepine
CID 129737419
3-Ethoxy-carbonyl-5-methoxyindole
CID 129872742
2-Carbonyl-6-methoxyindole
CID 88546887
(5-Ethoxyindol-2-ylidene)methanone
CID 140972886
6-Oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene
CID 159903610
(3-Ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone
CID 176532769
3-Ethoxy-4-methyl-5-(oxomethylidene)indole-2-carboxylic acid
CID 176541677
CID 176450081
CID 176450081

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-6-hydroxyindol-2-ylidene)methanone?
The IUPAC name of (3-ethoxy-6-hydroxyindol-2-ylidene)methanone (CID 176532767) is (3-ethoxy-6-hydroxyindol-2-ylidene)methanone.
What is the SMILES notation for (3-ethoxy-6-hydroxyindol-2-ylidene)methanone?
The canonical SMILES for (3-ethoxy-6-hydroxyindol-2-ylidene)methanone is CCOC1=c2ccc(O)cc2=NC1=C=O.
What is the InChIKey of (3-ethoxy-6-hydroxyindol-2-ylidene)methanone?
The InChIKey is RRGZALVXKXMEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-2-15-11-8-4-3-7(14)5-9(8)12-10(11)6-13/h3-5,14H,2H2,1H3.
What are the key properties of (3-ethoxy-6-hydroxyindol-2-ylidene)methanone?
(3-ethoxy-6-hydroxyindol-2-ylidene)methanone has a molecular weight of 203.20 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-6-hydroxyindol-2-ylidene)methanone is sourced from PubChem (CID 176532767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).