(5-ethoxyindol-2-ylidene)methanone

C11H9NO2 — CID 140972886

IUPAC(5-ethoxyindol-2-ylidene)methanone
SMILESCCOc1ccc2c(c1)=CC(=C=O)N=2
InChIInChI=1S/C11H9NO2/c1-2-14-10-3-4-11-8(6-10)5-9(7-13)12-11/h3-6H,2H2,1H3
InChIKeyZPRYFKJXEONERD-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.21
Rot. Bonds2

About (5-ethoxyindol-2-ylidene)methanone

(5-ethoxyindol-2-ylidene)methanone (PubChem CID 140972886) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is (5-ethoxyindol-2-ylidene)methanone.

Molecular Properties

Compound Name(5-ethoxyindol-2-ylidene)methanone
PubChem CID140972886
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name(5-ethoxyindol-2-ylidene)methanone
SMILESCCOc1ccc2c(c1)=CC(=C=O)N=2
InChIInChI=1S/C11H9NO2/c1-2-14-10-3-4-11-8(6-10)5-9(7-13)12-11/h3-6H,2H2,1H3
InChIKeyZPRYFKJXEONERD-UHFFFAOYSA-N
XLogP0.21
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-carbonylindole
CID 20508739
Pyrano[2,3-a]-carbazole
CID 21887334
Indolobenzo[b]furan
CID 88254568
Spiro[indole-2,2'-furan]
CID 129781759
Indolooxepine
CID 129737419
3-Ethoxy-carbonyl-5-methoxyindole
CID 129872742
(2Z)-2-(1-ethoxy-3-methylbut-2-enylidene)-1-methylindol-1-ium
CID 134856552
2,8-Dimethoxy-1,3-dimethylindeno[1,2-b]indole
CID 21657673
2H-furo[2,3-a]carbazole
CID 21887704
5-Ethoxybenzimidazol-2-one
CID 22754951
5-Methoxyindol-2-one
CID 23212395
5-Ethoxyindol-2-one
CID 23212399

Frequently Asked Questions

What is the IUPAC name of (5-ethoxyindol-2-ylidene)methanone?
The IUPAC name of (5-ethoxyindol-2-ylidene)methanone (CID 140972886) is (5-ethoxyindol-2-ylidene)methanone.
What is the SMILES notation for (5-ethoxyindol-2-ylidene)methanone?
The canonical SMILES for (5-ethoxyindol-2-ylidene)methanone is CCOc1ccc2c(c1)=CC(=C=O)N=2.
What is the InChIKey of (5-ethoxyindol-2-ylidene)methanone?
The InChIKey is ZPRYFKJXEONERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-2-14-10-3-4-11-8(6-10)5-9(7-13)12-11/h3-6H,2H2,1H3.
What are the key properties of (5-ethoxyindol-2-ylidene)methanone?
(5-ethoxyindol-2-ylidene)methanone has a molecular weight of 187.20 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxyindol-2-ylidene)methanone is sourced from PubChem (CID 140972886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).