2-ethyl-2,3-dihydro-1H-quinolin-4-one

C11H13NO — CID 15517880

IUPAC2-ethyl-2,3-dihydro-1H-quinolin-4-one
SMILESCCC1CC(=O)c2ccccc2N1
InChIInChI=1S/C11H13NO/c1-2-8-7-11(13)9-5-3-4-6-10(9)12-8/h3-6,8,12H,2,7H2,1H3
InChIKeyYVDATLUTNMBEBJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.46
Rot. Bonds1

About 2-ethyl-2,3-dihydro-1H-quinolin-4-one

2-ethyl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 15517880) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-ethyl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-ethyl-2,3-dihydro-1H-quinolin-4-one
PubChem CID15517880
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-ethyl-2,3-dihydro-1H-quinolin-4-one
SMILESCCC1CC(=O)c2ccccc2N1
InChIInChI=1S/C11H13NO/c1-2-8-7-11(13)9-5-3-4-6-10(9)12-8/h3-6,8,12H,2,7H2,1H3
InChIKeyYVDATLUTNMBEBJ-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 2-ethyl-2,3-dihydro-1H-quinolin-4-one (CID 15517880) is 2-ethyl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 2-ethyl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 2-ethyl-2,3-dihydro-1H-quinolin-4-one is CCC1CC(=O)c2ccccc2N1.
What is the InChIKey of 2-ethyl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is YVDATLUTNMBEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-8-7-11(13)9-5-3-4-6-10(9)12-8/h3-6,8,12H,2,7H2,1H3.
What are the key properties of 2-ethyl-2,3-dihydro-1H-quinolin-4-one?
2-ethyl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 175.23 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 15517880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).