3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one

C16H19NO2 — CID 141035211

IUPAC3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one
SMILESCC1(C)C(=O)N(C2CCCC(=O)C2)c2ccccc21
InChIInChI=1S/C16H19NO2/c1-16(2)13-8-3-4-9-14(13)17(15(16)19)11-6-5-7-12(18)10-11/h3-4,8-9,11H,5-7,10H2,1-2H3
InChIKeyZGQCCRKKGRLTIW-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.82
Rot. Bonds1

About 3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one

3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one (PubChem CID 141035211) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one
PubChem CID141035211
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one
SMILESCC1(C)C(=O)N(C2CCCC(=O)C2)c2ccccc21
InChIInChI=1S/C16H19NO2/c1-16(2)13-8-3-4-9-14(13)17(15(16)19)11-6-5-7-12(18)10-11/h3-4,8-9,11H,5-7,10H2,1-2H3
InChIKeyZGQCCRKKGRLTIW-UHFFFAOYSA-N
XLogP2.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one?
The IUPAC name of 3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one (CID 141035211) is 3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one is CC1(C)C(=O)N(C2CCCC(=O)C2)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one?
The InChIKey is ZGQCCRKKGRLTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2)13-8-3-4-9-14(13)17(15(16)19)11-6-5-7-12(18)10-11/h3-4,8-9,11H,5-7,10H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one?
3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one is sourced from PubChem (CID 141035211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).