3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one

C15H17NO3 — CID 3108852

IUPAC3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one
SMILESO=C1CCCCCC1C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C15H17NO3/c17-13-9-3-1-2-7-11(13)15(19)10-6-4-5-8-12(10)16-14(15)18/h4-6,8,11,19H,1-3,7,9H2,(H,16,18)
InChIKeyWRDAYOGORAQJTA-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.98
Rot. Bonds1

About 3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one

3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one (PubChem CID 3108852) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one
PubChem CID3108852
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one
SMILESO=C1CCCCCC1C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C15H17NO3/c17-13-9-3-1-2-7-11(13)15(19)10-6-4-5-8-12(10)16-14(15)18/h4-6,8,11,19H,1-3,7,9H2,(H,16,18)
InChIKeyWRDAYOGORAQJTA-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one (CID 3108852) is 3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one is O=C1CCCCCC1C1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one?
The InChIKey is WRDAYOGORAQJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13-9-3-1-2-7-11(13)15(19)10-6-4-5-8-12(10)16-14(15)18/h4-6,8,11,19H,1-3,7,9H2,(H,16,18).
What are the key properties of 3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one?
3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one has a molecular weight of 259.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one is sourced from PubChem (CID 3108852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).