2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one

C11H15NO — CID 141330146

IUPAC2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC1=C(C)NC2=C(C1)C(=O)CCC2
InChIInChI=1S/C11H15NO/c1-7-6-9-10(12-8(7)2)4-3-5-11(9)13/h12H,3-6H2,1-2H3
InChIKeyAKSMDNVUPYYGNP-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.28
Rot. Bonds

About 2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one

2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one (PubChem CID 141330146) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
PubChem CID141330146
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC1=C(C)NC2=C(C1)C(=O)CCC2
InChIInChI=1S/C11H15NO/c1-7-6-9-10(12-8(7)2)4-3-5-11(9)13/h12H,3-6H2,1-2H3
InChIKeyAKSMDNVUPYYGNP-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one (CID 141330146) is 2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one is CC1=C(C)NC2=C(C1)C(=O)CCC2.
What is the InChIKey of 2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The InChIKey is AKSMDNVUPYYGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-6-9-10(12-8(7)2)4-3-5-11(9)13/h12H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one has a molecular weight of 177.25 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 141330146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).