1,3,3-trimethylindol-2-one

C11H13NO — CID 30001

IUPAC1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2ccccc21
InChIInChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13/h4-7H,1-3H3
InChIKeyRFJITKCIMOLCNP-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.94
Rot. Bonds

About 1,3,3-trimethylindol-2-one

1,3,3-trimethylindol-2-one (PubChem CID 30001) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name1,3,3-trimethylindol-2-one
PubChem CID30001
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2ccccc21
InChIInChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13/h4-7H,1-3H3
InChIKeyRFJITKCIMOLCNP-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ropinirole
CID 5095
Oxindole
CID 321710
Ropinirole Hydrochloride
CID 68727
1-Methylisatin
CID 16358
N-Methyloxindole
CID 6096
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
N-Ethyloxindole
CID 66135
3-Methyloxindole
CID 150923
Super cinnamaldehyde
CID 12480411
3-Benzyl-1,3-dihydroindol-2-one
CID 347328

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylindol-2-one?
The IUPAC name of 1,3,3-trimethylindol-2-one (CID 30001) is 1,3,3-trimethylindol-2-one.
What is the SMILES notation for 1,3,3-trimethylindol-2-one?
The canonical SMILES for 1,3,3-trimethylindol-2-one is CN1C(=O)C(C)(C)c2ccccc21.
What is the InChIKey of 1,3,3-trimethylindol-2-one?
The InChIKey is RFJITKCIMOLCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13/h4-7H,1-3H3.
What are the key properties of 1,3,3-trimethylindol-2-one?
1,3,3-trimethylindol-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylindol-2-one is sourced from PubChem (CID 30001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).