3-hexyl-1,3-dihydroindol-2-one

C14H19NO — CID 106986515

IUPAC3-hexyl-1,3-dihydroindol-2-one
SMILESCCCCCCC1C(=O)Nc2ccccc21
InChIInChI=1S/C14H19NO/c1-2-3-4-5-9-12-11-8-6-7-10-13(11)15-14(12)16/h6-8,10,12H,2-5,9H2,1H3,(H,15,16)
InChIKeyVCYQWDZADOJXDK-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.69
Rot. Bonds5

About 3-hexyl-1,3-dihydroindol-2-one

3-hexyl-1,3-dihydroindol-2-one (PubChem CID 106986515) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-hexyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hexyl-1,3-dihydroindol-2-one
PubChem CID106986515
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-hexyl-1,3-dihydroindol-2-one
SMILESCCCCCCC1C(=O)Nc2ccccc21
InChIInChI=1S/C14H19NO/c1-2-3-4-5-9-12-11-8-6-7-10-13(11)15-14(12)16/h6-8,10,12H,2-5,9H2,1H3,(H,15,16)
InChIKeyVCYQWDZADOJXDK-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-hexyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-hexyl-1,3-dihydroindol-2-one (CID 106986515) is 3-hexyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hexyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hexyl-1,3-dihydroindol-2-one is CCCCCCC1C(=O)Nc2ccccc21.
What is the InChIKey of 3-hexyl-1,3-dihydroindol-2-one?
The InChIKey is VCYQWDZADOJXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-4-5-9-12-11-8-6-7-10-13(11)15-14(12)16/h6-8,10,12H,2-5,9H2,1H3,(H,15,16).
What are the key properties of 3-hexyl-1,3-dihydroindol-2-one?
3-hexyl-1,3-dihydroindol-2-one has a molecular weight of 217.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).