4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one

C11H13NO — CID 21290236

IUPAC4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one
SMILESCC1=CC2C(C)=CC(=O)NC2C=C1
InChIInChI=1S/C11H13NO/c1-7-3-4-10-9(5-7)8(2)6-11(13)12-10/h3-6,9-10H,1-2H3,(H,12,13)
InChIKeyDAMYQOCGJKONKV-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.56
Rot. Bonds

About 4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one

4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one (PubChem CID 21290236) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one
PubChem CID21290236
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one
SMILESCC1=CC2C(C)=CC(=O)NC2C=C1
InChIInChI=1S/C11H13NO/c1-7-3-4-10-9(5-7)8(2)6-11(13)12-10/h3-6,9-10H,1-2H3,(H,12,13)
InChIKeyDAMYQOCGJKONKV-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one?
The IUPAC name of 4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one (CID 21290236) is 4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one is CC1=CC2C(C)=CC(=O)NC2C=C1.
What is the InChIKey of 4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one?
The InChIKey is DAMYQOCGJKONKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-3-4-10-9(5-7)8(2)6-11(13)12-10/h3-6,9-10H,1-2H3,(H,12,13).
What are the key properties of 4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one?
4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-4a,8a-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 21290236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).