1,2,3,5-tetramethyl-2H-indol-4-one

C12H15NO — CID 174306988

IUPAC1,2,3,5-tetramethyl-2H-indol-4-one
SMILESCC1=CC=C2C(=C(C)C(C)N2C)C1=O
InChIInChI=1S/C12H15NO/c1-7-5-6-10-11(12(7)14)8(2)9(3)13(10)4/h5-6,9H,1-4H3
InChIKeyVOPVTWUHZRLDJD-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.05
Rot. Bonds

About 1,2,3,5-tetramethyl-2H-indol-4-one

1,2,3,5-tetramethyl-2H-indol-4-one (PubChem CID 174306988) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-2H-indol-4-one.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-2H-indol-4-one
PubChem CID174306988
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1,2,3,5-tetramethyl-2H-indol-4-one
SMILESCC1=CC=C2C(=C(C)C(C)N2C)C1=O
InChIInChI=1S/C12H15NO/c1-7-5-6-10-11(12(7)14)8(2)9(3)13(10)4/h5-6,9H,1-4H3
InChIKeyVOPVTWUHZRLDJD-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethyl-2H-indol-4-one?
The IUPAC name of 1,2,3,5-tetramethyl-2H-indol-4-one (CID 174306988) is 1,2,3,5-tetramethyl-2H-indol-4-one.
What is the SMILES notation for 1,2,3,5-tetramethyl-2H-indol-4-one?
The canonical SMILES for 1,2,3,5-tetramethyl-2H-indol-4-one is CC1=CC=C2C(=C(C)C(C)N2C)C1=O.
What is the InChIKey of 1,2,3,5-tetramethyl-2H-indol-4-one?
The InChIKey is VOPVTWUHZRLDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-7-5-6-10-11(12(7)14)8(2)9(3)13(10)4/h5-6,9H,1-4H3.
What are the key properties of 1,2,3,5-tetramethyl-2H-indol-4-one?
1,2,3,5-tetramethyl-2H-indol-4-one has a molecular weight of 189.26 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethyl-2H-indol-4-one is sourced from PubChem (CID 174306988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).