3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C10H13NO — CID 166091566

IUPAC3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C10H13NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyWYVFRUCWNKNCGT-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.56
Rot. Bonds

About 3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 166091566) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID166091566
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C10H13NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyWYVFRUCWNKNCGT-UHFFFAOYSA-N
XLogP1.56
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 166091566) is 3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is Cc1c[nH]c2c(c1=O)CCCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is WYVFRUCWNKNCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 163.22 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 166091566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).