5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one

C15H13NO3 — CID 664552

IUPAC5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one
SMILESO=C(c1ccc(=O)oc1)N1CCCc2ccccc21
InChIInChI=1S/C15H13NO3/c17-14-8-7-12(10-19-14)15(18)16-9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9H2
InChIKeyGELLLLRZUUFUAO-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.23
Rot. Bonds1

About 5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one

5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one (PubChem CID 664552) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one
PubChem CID664552
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one
SMILESO=C(c1ccc(=O)oc1)N1CCCc2ccccc21
InChIInChI=1S/C15H13NO3/c17-14-8-7-12(10-19-14)15(18)16-9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9H2
InChIKeyGELLLLRZUUFUAO-UHFFFAOYSA-N
XLogP2.23
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one?
The IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one (CID 664552) is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one?
The canonical SMILES for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one is O=C(c1ccc(=O)oc1)N1CCCc2ccccc21.
What is the InChIKey of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one?
The InChIKey is GELLLLRZUUFUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14-8-7-12(10-19-14)15(18)16-9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one?
5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one has a molecular weight of 255.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one is sourced from PubChem (CID 664552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).