5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

C11H13NO — CID 82213232

IUPAC5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(C)c2c(c1)NC(=O)CC2
InChIInChI=1S/C11H13NO/c1-7-5-8(2)9-3-4-11(13)12-10(9)6-7/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyAZIJCJZEQGVEAS-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.19
Rot. Bonds

About 5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82213232) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID82213232
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(C)c2c(c1)NC(=O)CC2
InChIInChI=1S/C11H13NO/c1-7-5-8(2)9-3-4-11(13)12-10(9)6-7/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyAZIJCJZEQGVEAS-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 82213232) is 5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc(C)c2c(c1)NC(=O)CC2.
What is the InChIKey of 5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AZIJCJZEQGVEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-5-8(2)9-3-4-11(13)12-10(9)6-7/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82213232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).