3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one

C11H13NO — CID 56601521

IUPAC3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one
SMILESCc1cnc2c(c1C)CCCC2=O
InChIInChI=1S/C11H13NO/c1-7-6-12-11-9(8(7)2)4-3-5-10(11)13/h6H,3-5H2,1-2H3
InChIKeyYCFSQOOUTOWHHT-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.22
Rot. Bonds

About 3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one

3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one (PubChem CID 56601521) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one.

Molecular Properties

Compound Name3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one
PubChem CID56601521
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one
SMILESCc1cnc2c(c1C)CCCC2=O
InChIInChI=1S/C11H13NO/c1-7-6-12-11-9(8(7)2)4-3-5-10(11)13/h6H,3-5H2,1-2H3
InChIKeyYCFSQOOUTOWHHT-UHFFFAOYSA-N
XLogP2.22
TPSA29.96 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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one?
The IUPAC name of 3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one (CID 56601521) is 3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one.
What is the SMILES notation for 3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one?
The canonical SMILES for 3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one is Cc1cnc2c(c1C)CCCC2=O.
What is the InChIKey of 3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one?
The InChIKey is YCFSQOOUTOWHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-6-12-11-9(8(7)2)4-3-5-10(11)13/h6H,3-5H2,1-2H3.
What are the key properties of 3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one?
3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one has a molecular weight of 175.23 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6,7-dihydro-5H-quinolin-8-one is sourced from PubChem (CID 56601521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).