1,3-dimethyl-7,8-dihydroquinolin-2-one

C11H13NO — CID 134485404

IUPAC1,3-dimethyl-7,8-dihydroquinolin-2-one
SMILESCc1cc2c(n(C)c1=O)CCC=C2
InChIInChI=1S/C11H13NO/c1-8-7-9-5-3-4-6-10(9)12(2)11(8)13/h3,5,7H,4,6H2,1-2H3
InChIKeyLEYXARCSHFUFFP-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.65
Rot. Bonds

About 1,3-dimethyl-7,8-dihydroquinolin-2-one

1,3-dimethyl-7,8-dihydroquinolin-2-one (PubChem CID 134485404) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1,3-dimethyl-7,8-dihydroquinolin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-7,8-dihydroquinolin-2-one
PubChem CID134485404
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1,3-dimethyl-7,8-dihydroquinolin-2-one
SMILESCc1cc2c(n(C)c1=O)CCC=C2
InChIInChI=1S/C11H13NO/c1-8-7-9-5-3-4-6-10(9)12(2)11(8)13/h3,5,7H,4,6H2,1-2H3
InChIKeyLEYXARCSHFUFFP-UHFFFAOYSA-N
XLogP1.65
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7,8-dihydroquinolin-2-one?
The IUPAC name of 1,3-dimethyl-7,8-dihydroquinolin-2-one (CID 134485404) is 1,3-dimethyl-7,8-dihydroquinolin-2-one.
What is the SMILES notation for 1,3-dimethyl-7,8-dihydroquinolin-2-one?
The canonical SMILES for 1,3-dimethyl-7,8-dihydroquinolin-2-one is Cc1cc2c(n(C)c1=O)CCC=C2.
What is the InChIKey of 1,3-dimethyl-7,8-dihydroquinolin-2-one?
The InChIKey is LEYXARCSHFUFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-7-9-5-3-4-6-10(9)12(2)11(8)13/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 1,3-dimethyl-7,8-dihydroquinolin-2-one?
1,3-dimethyl-7,8-dihydroquinolin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7,8-dihydroquinolin-2-one is sourced from PubChem (CID 134485404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).