3-methyl-7,8-dihydro-6H-quinolin-5-one

C10H11NO — CID 595192

IUPAC3-methyl-7,8-dihydro-6H-quinolin-5-one
SMILESCc1cnc2c(c1)C(=O)CCC2
InChIInChI=1S/C10H11NO/c1-7-5-8-9(11-6-7)3-2-4-10(8)12/h5-6H,2-4H2,1H3
InChIKeyJPPNDGIYIIKFLF-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.91
Rot. Bonds

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

3-methyl-7,8-dihydro-6H-quinolin-5-one (PubChem CID 595192) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-methyl-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name3-methyl-7,8-dihydro-6H-quinolin-5-one
PubChem CID595192
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-methyl-7,8-dihydro-6H-quinolin-5-one
SMILESCc1cnc2c(c1)C(=O)CCC2
InChIInChI=1S/C10H11NO/c1-7-5-8-9(11-6-7)3-2-4-10(8)12/h5-6H,2-4H2,1H3
InChIKeyJPPNDGIYIIKFLF-UHFFFAOYSA-N
XLogP1.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 3-methyl-7,8-dihydro-6H-quinolin-5-one (CID 595192) is 3-methyl-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 3-methyl-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 3-methyl-7,8-dihydro-6H-quinolin-5-one is Cc1cnc2c(c1)C(=O)CCC2.
What is the InChIKey of 3-methyl-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is JPPNDGIYIIKFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-5-8-9(11-6-7)3-2-4-10(8)12/h5-6H,2-4H2,1H3.
What are the key properties of 3-methyl-7,8-dihydro-6H-quinolin-5-one?
3-methyl-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 161.20 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 595192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).