2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one

C15H17NO2 — CID 10263815

IUPAC2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one
SMILESCCC12CCc3ccccc3N1C(=O)C2C(C)=O
InChIInChI=1S/C15H17NO2/c1-3-15-9-8-11-6-4-5-7-12(11)16(15)14(18)13(15)10(2)17/h4-7,13H,3,8-9H2,1-2H3
InChIKeyDMHOTOJPVRWNJU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.33
Rot. Bonds2

About 2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one

2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one (PubChem CID 10263815) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one.

Molecular Properties

Compound Name2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one
PubChem CID10263815
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one
SMILESCCC12CCc3ccccc3N1C(=O)C2C(C)=O
InChIInChI=1S/C15H17NO2/c1-3-15-9-8-11-6-4-5-7-12(11)16(15)14(18)13(15)10(2)17/h4-7,13H,3,8-9H2,1-2H3
InChIKeyDMHOTOJPVRWNJU-UHFFFAOYSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one?
The IUPAC name of 2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one (CID 10263815) is 2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one.
What is the SMILES notation for 2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one?
The canonical SMILES for 2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one is CCC12CCc3ccccc3N1C(=O)C2C(C)=O.
What is the InChIKey of 2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one?
The InChIKey is DMHOTOJPVRWNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-15-9-8-11-6-4-5-7-12(11)16(15)14(18)13(15)10(2)17/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of 2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one?
2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one has a molecular weight of 243.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2a-ethyl-3,4-dihydro-2H-azeto[1,2-a]quinolin-1-one is sourced from PubChem (CID 10263815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).