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

C10H13NO — CID 20721318

IUPAC2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one
SMILESCC1=NC2=C(CCCC2)C(=O)C1
InChIInChI=1S/C10H13NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H2,1H3
InChIKeyYCVRXSAFXBUPRO-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.25
Rot. Bonds

About 2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one

2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one (PubChem CID 20721318) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one
PubChem CID20721318
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one
SMILESCC1=NC2=C(CCCC2)C(=O)C1
InChIInChI=1S/C10H13NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H2,1H3
InChIKeyYCVRXSAFXBUPRO-UHFFFAOYSA-N
XLogP2.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one (CID 20721318) is 2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one is CC1=NC2=C(CCCC2)C(=O)C1.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one?
The InChIKey is YCVRXSAFXBUPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one?
2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one has a molecular weight of 163.22 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one is sourced from PubChem (CID 20721318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).