3-methyl-6,8a-dihydro-3H-quinolin-4-one

C10H11NO — CID 91067894

IUPAC3-methyl-6,8a-dihydro-3H-quinolin-4-one
SMILESCC1C=NC2C=CCC=C2C1=O
InChIInChI=1S/C10H11NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h3-7,9H,2H2,1H3
InChIKeyMRGIHTBQSNYHEA-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.53
Rot. Bonds

About 3-methyl-6,8a-dihydro-3H-quinolin-4-one

3-methyl-6,8a-dihydro-3H-quinolin-4-one (PubChem CID 91067894) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-methyl-6,8a-dihydro-3H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-6,8a-dihydro-3H-quinolin-4-one
PubChem CID91067894
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-methyl-6,8a-dihydro-3H-quinolin-4-one
SMILESCC1C=NC2C=CCC=C2C1=O
InChIInChI=1S/C10H11NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h3-7,9H,2H2,1H3
InChIKeyMRGIHTBQSNYHEA-UHFFFAOYSA-N
XLogP1.53
TPSA29.43 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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,8a-dihydro-3H-quinolin-4-one?
The IUPAC name of 3-methyl-6,8a-dihydro-3H-quinolin-4-one (CID 91067894) is 3-methyl-6,8a-dihydro-3H-quinolin-4-one.
What is the SMILES notation for 3-methyl-6,8a-dihydro-3H-quinolin-4-one?
The canonical SMILES for 3-methyl-6,8a-dihydro-3H-quinolin-4-one is CC1C=NC2C=CCC=C2C1=O.
What is the InChIKey of 3-methyl-6,8a-dihydro-3H-quinolin-4-one?
The InChIKey is MRGIHTBQSNYHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h3-7,9H,2H2,1H3.
What are the key properties of 3-methyl-6,8a-dihydro-3H-quinolin-4-one?
3-methyl-6,8a-dihydro-3H-quinolin-4-one has a molecular weight of 161.20 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,8a-dihydro-3H-quinolin-4-one is sourced from PubChem (CID 91067894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).