5-ethyl-1-prop-2-ynyl-3H-indol-2-one

C13H13NO — CID 84758468

IUPAC5-ethyl-1-prop-2-ynyl-3H-indol-2-one
SMILESC#CCN1C(=O)Cc2cc(CC)ccc21
InChIInChI=1S/C13H13NO/c1-3-7-14-12-6-5-10(4-2)8-11(12)9-13(14)15/h1,5-6,8H,4,7,9H2,2H3
InChIKeyZQWJSVXRRPMUAC-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.77
Rot. Bonds2

About 5-ethyl-1-prop-2-ynyl-3H-indol-2-one

5-ethyl-1-prop-2-ynyl-3H-indol-2-one (PubChem CID 84758468) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-ethyl-1-prop-2-ynyl-3H-indol-2-one.

Molecular Properties

Compound Name5-ethyl-1-prop-2-ynyl-3H-indol-2-one
PubChem CID84758468
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name5-ethyl-1-prop-2-ynyl-3H-indol-2-one
SMILESC#CCN1C(=O)Cc2cc(CC)ccc21
InChIInChI=1S/C13H13NO/c1-3-7-14-12-6-5-10(4-2)8-11(12)9-13(14)15/h1,5-6,8H,4,7,9H2,2H3
InChIKeyZQWJSVXRRPMUAC-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-1-prop-2-ynyl-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-prop-2-ynyl-3H-indol-2-one?
The IUPAC name of 5-ethyl-1-prop-2-ynyl-3H-indol-2-one (CID 84758468) is 5-ethyl-1-prop-2-ynyl-3H-indol-2-one.
What is the SMILES notation for 5-ethyl-1-prop-2-ynyl-3H-indol-2-one?
The canonical SMILES for 5-ethyl-1-prop-2-ynyl-3H-indol-2-one is C#CCN1C(=O)Cc2cc(CC)ccc21.
What is the InChIKey of 5-ethyl-1-prop-2-ynyl-3H-indol-2-one?
The InChIKey is ZQWJSVXRRPMUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-3-7-14-12-6-5-10(4-2)8-11(12)9-13(14)15/h1,5-6,8H,4,7,9H2,2H3.
What are the key properties of 5-ethyl-1-prop-2-ynyl-3H-indol-2-one?
5-ethyl-1-prop-2-ynyl-3H-indol-2-one has a molecular weight of 199.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-prop-2-ynyl-3H-indol-2-one is sourced from PubChem (CID 84758468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).