4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one

C10H13NO — CID 147171031

IUPAC4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
SMILESCC1CC(=O)NC2C=CC=CC12
InChIInChI=1S/C10H13NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-5,7-9H,6H2,1H3,(H,11,12)
InChIKeyBXSHIJQUODYPTR-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.25
Rot. Bonds

About 4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one

4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one (PubChem CID 147171031) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
PubChem CID147171031
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
SMILESCC1CC(=O)NC2C=CC=CC12
InChIInChI=1S/C10H13NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-5,7-9H,6H2,1H3,(H,11,12)
InChIKeyBXSHIJQUODYPTR-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one (CID 147171031) is 4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one is CC1CC(=O)NC2C=CC=CC12.
What is the InChIKey of 4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
The InChIKey is BXSHIJQUODYPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-5,7-9H,6H2,1H3,(H,11,12).
What are the key properties of 4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 147171031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).