3-decan-4-ylindol-2-one

C18H25NO — CID 67657984

IUPAC3-decan-4-ylindol-2-one
SMILESCCCCCCC(CCC)C1=c2ccccc2=NC1=O
InChIInChI=1S/C18H25NO/c1-3-5-6-7-11-14(10-4-2)17-15-12-8-9-13-16(15)19-18(17)20/h8-9,12-14H,3-7,10-11H2,1-2H3
InChIKeyCKTUYKQSMXALMM-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.38
Rot. Bonds8

About 3-decan-4-ylindol-2-one

3-decan-4-ylindol-2-one (PubChem CID 67657984) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-decan-4-ylindol-2-one.

Molecular Properties

Compound Name3-decan-4-ylindol-2-one
PubChem CID67657984
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name3-decan-4-ylindol-2-one
SMILESCCCCCCC(CCC)C1=c2ccccc2=NC1=O
InChIInChI=1S/C18H25NO/c1-3-5-6-7-11-14(10-4-2)17-15-12-8-9-13-16(15)19-18(17)20/h8-9,12-14H,3-7,10-11H2,1-2H3
InChIKeyCKTUYKQSMXALMM-UHFFFAOYSA-N
XLogP3.38
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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6-Bromo-3-hexylindol-2-one
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(4Z)-4-pentyl-3,6a-dihydro-1-benzazocine-2,6-dione
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1-[4-[3-(5-methyl-3-prop-2-enylidene-2H-pyrrol-4-ylidene)butyl]cyclohexyl]ethanone
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3-Decanoylindol-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-decan-4-ylindol-2-one?
The IUPAC name of 3-decan-4-ylindol-2-one (CID 67657984) is 3-decan-4-ylindol-2-one.
What is the SMILES notation for 3-decan-4-ylindol-2-one?
The canonical SMILES for 3-decan-4-ylindol-2-one is CCCCCCC(CCC)C1=c2ccccc2=NC1=O.
What is the InChIKey of 3-decan-4-ylindol-2-one?
The InChIKey is CKTUYKQSMXALMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-5-6-7-11-14(10-4-2)17-15-12-8-9-13-16(15)19-18(17)20/h8-9,12-14H,3-7,10-11H2,1-2H3.
What are the key properties of 3-decan-4-ylindol-2-one?
3-decan-4-ylindol-2-one has a molecular weight of 271.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decan-4-ylindol-2-one is sourced from PubChem (CID 67657984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).