3-methyl-3H-quinolin-2-one

C10H9NO — CID 91141533

IUPAC3-methyl-3H-quinolin-2-one
SMILESCC1C=c2ccccc2=NC1=O
InChIInChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-7H,1H3
InChIKeyDUZVXHWCNJGFMK-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.26
Rot. Bonds

About 3-methyl-3H-quinolin-2-one

3-methyl-3H-quinolin-2-one (PubChem CID 91141533) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-methyl-3H-quinolin-2-one.

Molecular Properties

Compound Name3-methyl-3H-quinolin-2-one
PubChem CID91141533
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name3-methyl-3H-quinolin-2-one
SMILESCC1C=c2ccccc2=NC1=O
InChIInChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-7H,1H3
InChIKeyDUZVXHWCNJGFMK-UHFFFAOYSA-N
XLogP0.26
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3H-quinolin-2-one?
The IUPAC name of 3-methyl-3H-quinolin-2-one (CID 91141533) is 3-methyl-3H-quinolin-2-one.
What is the SMILES notation for 3-methyl-3H-quinolin-2-one?
The canonical SMILES for 3-methyl-3H-quinolin-2-one is CC1C=c2ccccc2=NC1=O.
What is the InChIKey of 3-methyl-3H-quinolin-2-one?
The InChIKey is DUZVXHWCNJGFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-7H,1H3.
What are the key properties of 3-methyl-3H-quinolin-2-one?
3-methyl-3H-quinolin-2-one has a molecular weight of 159.19 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3H-quinolin-2-one is sourced from PubChem (CID 91141533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).