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

C16H19NO3 — CID 3127024

IUPAC3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one
SMILESCN1C(=O)C(O)(C2CCCCCC2=O)c2ccccc21
InChIInChI=1S/C16H19NO3/c1-17-13-9-6-5-7-11(13)16(20,15(17)19)12-8-3-2-4-10-14(12)18/h5-7,9,12,20H,2-4,8,10H2,1H3
InChIKeyPVCSPEAMTLGJGK-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.00
Rot. Bonds1

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

3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one (PubChem CID 3127024) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one
PubChem CID3127024
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one
SMILESCN1C(=O)C(O)(C2CCCCCC2=O)c2ccccc21
InChIInChI=1S/C16H19NO3/c1-17-13-9-6-5-7-11(13)16(20,15(17)19)12-8-3-2-4-10-14(12)18/h5-7,9,12,20H,2-4,8,10H2,1H3
InChIKeyPVCSPEAMTLGJGK-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one (CID 3127024) is 3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one is CN1C(=O)C(O)(C2CCCCCC2=O)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one?
The InChIKey is PVCSPEAMTLGJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17-13-9-6-5-7-11(13)16(20,15(17)19)12-8-3-2-4-10-14(12)18/h5-7,9,12,20H,2-4,8,10H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one?
3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-(2-oxocycloheptyl)indol-2-one is sourced from PubChem (CID 3127024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).