3-decanoylindol-2-one

C18H23NO2 — CID 118321551

IUPAC3-decanoylindol-2-one
SMILESCCCCCCCCCC(=O)C1=c2ccccc2=NC1=O
InChIInChI=1S/C18H23NO2/c1-2-3-4-5-6-7-8-13-16(20)17-14-11-9-10-12-15(14)19-18(17)21/h9-12H,2-8,13H2,1H3
InChIKeyNJCZVENHJMPHQA-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.71
Rot. Bonds9

About 3-decanoylindol-2-one

3-decanoylindol-2-one (PubChem CID 118321551) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-decanoylindol-2-one.

Molecular Properties

Compound Name3-decanoylindol-2-one
PubChem CID118321551
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-decanoylindol-2-one
SMILESCCCCCCCCCC(=O)C1=c2ccccc2=NC1=O
InChIInChI=1S/C18H23NO2/c1-2-3-4-5-6-7-8-13-16(20)17-14-11-9-10-12-15(14)19-18(17)21/h9-12H,2-8,13H2,1H3
InChIKeyNJCZVENHJMPHQA-UHFFFAOYSA-N
XLogP2.71
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-decanoylindol-2-one?
The IUPAC name of 3-decanoylindol-2-one (CID 118321551) is 3-decanoylindol-2-one.
What is the SMILES notation for 3-decanoylindol-2-one?
The canonical SMILES for 3-decanoylindol-2-one is CCCCCCCCCC(=O)C1=c2ccccc2=NC1=O.
What is the InChIKey of 3-decanoylindol-2-one?
The InChIKey is NJCZVENHJMPHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-3-4-5-6-7-8-13-16(20)17-14-11-9-10-12-15(14)19-18(17)21/h9-12H,2-8,13H2,1H3.
What are the key properties of 3-decanoylindol-2-one?
3-decanoylindol-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decanoylindol-2-one is sourced from PubChem (CID 118321551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).