3-butyl-3-hydroxy-1H-indol-2-one

C12H15NO2 — CID 15744776

IUPAC3-butyl-3-hydroxy-1H-indol-2-one
SMILESCCCCC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C12H15NO2/c1-2-3-8-12(15)9-6-4-5-7-10(9)13-11(12)14/h4-7,15H,2-3,8H2,1H3,(H,13,14)
InChIKeyHDBHPVVUJVCFMG-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.02
Rot. Bonds3

About 3-butyl-3-hydroxy-1H-indol-2-one

3-butyl-3-hydroxy-1H-indol-2-one (PubChem CID 15744776) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-butyl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-butyl-3-hydroxy-1H-indol-2-one
PubChem CID15744776
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-butyl-3-hydroxy-1H-indol-2-one
SMILESCCCCC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C12H15NO2/c1-2-3-8-12(15)9-6-4-5-7-10(9)13-11(12)14/h4-7,15H,2-3,8H2,1H3,(H,13,14)
InChIKeyHDBHPVVUJVCFMG-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-butyl-3-hydroxy-1H-indol-2-one (CID 15744776) is 3-butyl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-butyl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-butyl-3-hydroxy-1H-indol-2-one is CCCCC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-butyl-3-hydroxy-1H-indol-2-one?
The InChIKey is HDBHPVVUJVCFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-3-8-12(15)9-6-4-5-7-10(9)13-11(12)14/h4-7,15H,2-3,8H2,1H3,(H,13,14).
What are the key properties of 3-butyl-3-hydroxy-1H-indol-2-one?
3-butyl-3-hydroxy-1H-indol-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 15744776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).