3-hex-1-ynyl-3-hydroxy-1H-indol-2-one

C14H15NO2 — CID 3025827

IUPAC3-hex-1-ynyl-3-hydroxy-1H-indol-2-one
SMILESCCCCC#CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C14H15NO2/c1-2-3-4-7-10-14(17)11-8-5-6-9-12(11)15-13(14)16/h5-6,8-9,17H,2-4H2,1H3,(H,15,16)
InChIKeySHJPHFOZSJSLOA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.02
Rot. Bonds2

About 3-hex-1-ynyl-3-hydroxy-1H-indol-2-one

3-hex-1-ynyl-3-hydroxy-1H-indol-2-one (PubChem CID 3025827) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-hex-1-ynyl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-hex-1-ynyl-3-hydroxy-1H-indol-2-one
PubChem CID3025827
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-hex-1-ynyl-3-hydroxy-1H-indol-2-one
SMILESCCCCC#CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C14H15NO2/c1-2-3-4-7-10-14(17)11-8-5-6-9-12(11)15-13(14)16/h5-6,8-9,17H,2-4H2,1H3,(H,15,16)
InChIKeySHJPHFOZSJSLOA-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 36460
CID 36460
CID 151066
CID 151066
CID 10488522
CID 10488522
CID 6097
CID 6097
CID 15806
CID 15806
CID 11658413
CID 11658413
CID 14033762
CID 14033762
CID 2801696
CID 2801696
CID 11836404
CID 11836404
CID 646528
CID 646528
CID 4256987
CID 4256987
CID 314749
CID 314749

Frequently Asked Questions

What is the IUPAC name of 3-hex-1-ynyl-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-hex-1-ynyl-3-hydroxy-1H-indol-2-one (CID 3025827) is 3-hex-1-ynyl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-hex-1-ynyl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-hex-1-ynyl-3-hydroxy-1H-indol-2-one is CCCCC#CC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-hex-1-ynyl-3-hydroxy-1H-indol-2-one?
The InChIKey is SHJPHFOZSJSLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-3-4-7-10-14(17)11-8-5-6-9-12(11)15-13(14)16/h5-6,8-9,17H,2-4H2,1H3,(H,15,16).
What are the key properties of 3-hex-1-ynyl-3-hydroxy-1H-indol-2-one?
3-hex-1-ynyl-3-hydroxy-1H-indol-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-ynyl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 3025827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).