3,4-dimethyl-4aH-quinolin-2-one

C11H11NO — CID 76521604

IUPAC3,4-dimethyl-4aH-quinolin-2-one
SMILESCC1=C(C)C2C=CC=CC2=NC1=O
InChIInChI=1S/C11H11NO/c1-7-8(2)11(13)12-10-6-4-3-5-9(7)10/h3-6,9H,1-2H3
InChIKeyVBZXRGCFVFVPCC-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.05
Rot. Bonds

About 3,4-dimethyl-4aH-quinolin-2-one

3,4-dimethyl-4aH-quinolin-2-one (PubChem CID 76521604) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3,4-dimethyl-4aH-quinolin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-4aH-quinolin-2-one
PubChem CID76521604
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3,4-dimethyl-4aH-quinolin-2-one
SMILESCC1=C(C)C2C=CC=CC2=NC1=O
InChIInChI=1S/C11H11NO/c1-7-8(2)11(13)12-10-6-4-3-5-9(7)10/h3-6,9H,1-2H3
InChIKeyVBZXRGCFVFVPCC-UHFFFAOYSA-N
XLogP2.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Carbonyl quinolinone
CID 71302596
1,8a-Dimethyl-3-isoquinolinone
CID 129707541
1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one
CID 129791065
2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one
CID 129791208
3-fluoro-4-methyl-4aH-quinolin-2-one
CID 76130808
7-fluoro-4-methyl-4aH-quinolin-2-one
CID 76220766
4-(trifluoromethyl)-4aH-quinolin-2-one
CID 78292195
8-fluoro-4-methyl-4aH-quinolin-2-one
CID 118797520
6-fluoro-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 122130455
6-fluoro-4-methyl-4aH-quinolin-2-one
CID 178186131
8H-quinolin-2-one
CID 17938646
6H-quinolin-2-one
CID 19699059

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4aH-quinolin-2-one?
The IUPAC name of 3,4-dimethyl-4aH-quinolin-2-one (CID 76521604) is 3,4-dimethyl-4aH-quinolin-2-one.
What is the SMILES notation for 3,4-dimethyl-4aH-quinolin-2-one?
The canonical SMILES for 3,4-dimethyl-4aH-quinolin-2-one is CC1=C(C)C2C=CC=CC2=NC1=O.
What is the InChIKey of 3,4-dimethyl-4aH-quinolin-2-one?
The InChIKey is VBZXRGCFVFVPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-7-8(2)11(13)12-10-6-4-3-5-9(7)10/h3-6,9H,1-2H3.
What are the key properties of 3,4-dimethyl-4aH-quinolin-2-one?
3,4-dimethyl-4aH-quinolin-2-one has a molecular weight of 173.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4aH-quinolin-2-one is sourced from PubChem (CID 76521604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).