1,3,3-trimethyl-4H-quinolin-2-one

C12H15NO — CID 15056385

IUPAC1,3,3-trimethyl-4H-quinolin-2-one
SMILESCN1C(=O)C(C)(C)Cc2ccccc21
InChIInChI=1S/C12H15NO/c1-12(2)8-9-6-4-5-7-10(9)13(3)11(12)14/h4-7H,8H2,1-3H3
InChIKeyAMJKMHHRMUSUSV-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.23
Rot. Bonds

About 1,3,3-trimethyl-4H-quinolin-2-one

1,3,3-trimethyl-4H-quinolin-2-one (PubChem CID 15056385) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,3,3-trimethyl-4H-quinolin-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-4H-quinolin-2-one
PubChem CID15056385
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1,3,3-trimethyl-4H-quinolin-2-one
SMILESCN1C(=O)C(C)(C)Cc2ccccc21
InChIInChI=1S/C12H15NO/c1-12(2)8-9-6-4-5-7-10(9)13(3)11(12)14/h4-7H,8H2,1-3H3
InChIKeyAMJKMHHRMUSUSV-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-4H-quinolin-2-one?
The IUPAC name of 1,3,3-trimethyl-4H-quinolin-2-one (CID 15056385) is 1,3,3-trimethyl-4H-quinolin-2-one.
What is the SMILES notation for 1,3,3-trimethyl-4H-quinolin-2-one?
The canonical SMILES for 1,3,3-trimethyl-4H-quinolin-2-one is CN1C(=O)C(C)(C)Cc2ccccc21.
What is the InChIKey of 1,3,3-trimethyl-4H-quinolin-2-one?
The InChIKey is AMJKMHHRMUSUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2)8-9-6-4-5-7-10(9)13(3)11(12)14/h4-7H,8H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-4H-quinolin-2-one?
1,3,3-trimethyl-4H-quinolin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-4H-quinolin-2-one is sourced from PubChem (CID 15056385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).