1-methyl-5,8a-dihydroquinolin-8-one

C10H11NO — CID 19763159

IUPAC1-methyl-5,8a-dihydroquinolin-8-one
SMILESCN1C=CC=C2CC=CC(=O)C21
InChIInChI=1S/C10H11NO/c1-11-7-3-5-8-4-2-6-9(12)10(8)11/h2-3,5-7,10H,4H2,1H3
InChIKeyKOXVEOJNWHBBHC-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.27
Rot. Bonds

About 1-methyl-5,8a-dihydroquinolin-8-one

1-methyl-5,8a-dihydroquinolin-8-one (PubChem CID 19763159) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-methyl-5,8a-dihydroquinolin-8-one.

Molecular Properties

Compound Name1-methyl-5,8a-dihydroquinolin-8-one
PubChem CID19763159
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-methyl-5,8a-dihydroquinolin-8-one
SMILESCN1C=CC=C2CC=CC(=O)C21
InChIInChI=1S/C10H11NO/c1-11-7-3-5-8-4-2-6-9(12)10(8)11/h2-3,5-7,10H,4H2,1H3
InChIKeyKOXVEOJNWHBBHC-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,8a-dihydroquinolin-8-one?
The IUPAC name of 1-methyl-5,8a-dihydroquinolin-8-one (CID 19763159) is 1-methyl-5,8a-dihydroquinolin-8-one.
What is the SMILES notation for 1-methyl-5,8a-dihydroquinolin-8-one?
The canonical SMILES for 1-methyl-5,8a-dihydroquinolin-8-one is CN1C=CC=C2CC=CC(=O)C21.
What is the InChIKey of 1-methyl-5,8a-dihydroquinolin-8-one?
The InChIKey is KOXVEOJNWHBBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-11-7-3-5-8-4-2-6-9(12)10(8)11/h2-3,5-7,10H,4H2,1H3.
What are the key properties of 1-methyl-5,8a-dihydroquinolin-8-one?
1-methyl-5,8a-dihydroquinolin-8-one has a molecular weight of 161.20 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,8a-dihydroquinolin-8-one is sourced from PubChem (CID 19763159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).