3-butanoyl-8-ethenyl-1H-quinolin-2-one

C15H15NO2 — CID 19923019

IUPAC3-butanoyl-8-ethenyl-1H-quinolin-2-one
SMILESC=Cc1cccc2cc(C(=O)CCC)c(=O)[nH]c12
InChIInChI=1S/C15H15NO2/c1-3-6-13(17)12-9-11-8-5-7-10(4-2)14(11)16-15(12)18/h4-5,7-9H,2-3,6H2,1H3,(H,16,18)
InChIKeyQPZSZLKZZRBSBN-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.15
Rot. Bonds4

About 3-butanoyl-8-ethenyl-1H-quinolin-2-one

3-butanoyl-8-ethenyl-1H-quinolin-2-one (PubChem CID 19923019) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-butanoyl-8-ethenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-butanoyl-8-ethenyl-1H-quinolin-2-one
PubChem CID19923019
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-butanoyl-8-ethenyl-1H-quinolin-2-one
SMILESC=Cc1cccc2cc(C(=O)CCC)c(=O)[nH]c12
InChIInChI=1S/C15H15NO2/c1-3-6-13(17)12-9-11-8-5-7-10(4-2)14(11)16-15(12)18/h4-5,7-9H,2-3,6H2,1H3,(H,16,18)
InChIKeyQPZSZLKZZRBSBN-UHFFFAOYSA-N
XLogP3.15
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-8-ethenyl-1H-quinolin-2-one?
The IUPAC name of 3-butanoyl-8-ethenyl-1H-quinolin-2-one (CID 19923019) is 3-butanoyl-8-ethenyl-1H-quinolin-2-one.
What is the SMILES notation for 3-butanoyl-8-ethenyl-1H-quinolin-2-one?
The canonical SMILES for 3-butanoyl-8-ethenyl-1H-quinolin-2-one is C=Cc1cccc2cc(C(=O)CCC)c(=O)[nH]c12.
What is the InChIKey of 3-butanoyl-8-ethenyl-1H-quinolin-2-one?
The InChIKey is QPZSZLKZZRBSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-6-13(17)12-9-11-8-5-7-10(4-2)14(11)16-15(12)18/h4-5,7-9H,2-3,6H2,1H3,(H,16,18).
What are the key properties of 3-butanoyl-8-ethenyl-1H-quinolin-2-one?
3-butanoyl-8-ethenyl-1H-quinolin-2-one has a molecular weight of 241.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-8-ethenyl-1H-quinolin-2-one is sourced from PubChem (CID 19923019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).