(3-ethylindol-2-ylidene)methanone

C11H9NO — CID 88795305

IUPAC(3-ethylindol-2-ylidene)methanone
SMILESCCC1=c2ccccc2=NC1=C=O
InChIInChI=1S/C11H9NO/c1-2-8-9-5-3-4-6-10(9)12-11(8)7-13/h3-6H,2H2,1H3
InChIKeyQHNBIBSKZRXYMD-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.60
Rot. Bonds1

About (3-ethylindol-2-ylidene)methanone

(3-ethylindol-2-ylidene)methanone (PubChem CID 88795305) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is (3-ethylindol-2-ylidene)methanone.

Molecular Properties

Compound Name(3-ethylindol-2-ylidene)methanone
PubChem CID88795305
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name(3-ethylindol-2-ylidene)methanone
SMILESCCC1=c2ccccc2=NC1=C=O
InChIInChI=1S/C11H9NO/c1-2-8-9-5-3-4-6-10(9)12-11(8)7-13/h3-6H,2H2,1H3
InChIKeyQHNBIBSKZRXYMD-UHFFFAOYSA-N
XLogP0.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.60
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 (3-ethylindol-2-ylidene)methanone?
The IUPAC name of (3-ethylindol-2-ylidene)methanone (CID 88795305) is (3-ethylindol-2-ylidene)methanone.
What is the SMILES notation for (3-ethylindol-2-ylidene)methanone?
The canonical SMILES for (3-ethylindol-2-ylidene)methanone is CCC1=c2ccccc2=NC1=C=O.
What is the InChIKey of (3-ethylindol-2-ylidene)methanone?
The InChIKey is QHNBIBSKZRXYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-8-9-5-3-4-6-10(9)12-11(8)7-13/h3-6H,2H2,1H3.
What are the key properties of (3-ethylindol-2-ylidene)methanone?
(3-ethylindol-2-ylidene)methanone has a molecular weight of 171.20 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylindol-2-ylidene)methanone is sourced from PubChem (CID 88795305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).