6-[(E)-but-2-enyl]-1H-quinolin-2-one

C13H13NO — CID 119094880

IUPAC6-[(E)-but-2-enyl]-1H-quinolin-2-one
SMILESC/C=C/Cc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C13H13NO/c1-2-3-4-10-5-7-12-11(9-10)6-8-13(15)14-12/h2-3,5-9H,4H2,1H3,(H,14,15)/b3-2+
InChIKeyJXKQPZSGRUFNOU-NSCUHMNNSA-N
MW199.25 g/mol
LogP2.65
Rot. Bonds2

About 6-[(E)-but-2-enyl]-1H-quinolin-2-one

6-[(E)-but-2-enyl]-1H-quinolin-2-one (PubChem CID 119094880) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 6-[(E)-but-2-enyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(E)-but-2-enyl]-1H-quinolin-2-one
PubChem CID119094880
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name6-[(E)-but-2-enyl]-1H-quinolin-2-one
SMILESC/C=C/Cc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C13H13NO/c1-2-3-4-10-5-7-12-11(9-10)6-8-13(15)14-12/h2-3,5-9H,4H2,1H3,(H,14,15)/b3-2+
InChIKeyJXKQPZSGRUFNOU-NSCUHMNNSA-N
XLogP2.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[(4-methoxyphenyl)methyl]-1H-quinolin-2-one
CID 70082190
2-oxo-1H-quinoline-6-carbaldehyde
CID 11816137
6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
CID 175881148
1-[(E)-but-2-enyl]-4-fluorobenzene
CID 13240703
7-butyl-1H-quinolin-2-one
CID 119093138
5-pent-3-enyl-1H-indole
CID 54525376
hydrazine;1H-quinolin-2-one
CID 157180038
6-(4-chlorophenyl)-1H-quinolin-2-one
CID 67364248
2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid
CID 117099443
5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3-dihydrobenzimidazole-2-thione
CID 89122903
2-oxo-1H-quinoline-6-carboximidoyl chloride
CID 118270507
6-(2-chloroethoxy)-1H-quinolin-2-one
CID 20540025

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-2-enyl]-1H-quinolin-2-one?
The IUPAC name of 6-[(E)-but-2-enyl]-1H-quinolin-2-one (CID 119094880) is 6-[(E)-but-2-enyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[(E)-but-2-enyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[(E)-but-2-enyl]-1H-quinolin-2-one is C/C=C/Cc1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of 6-[(E)-but-2-enyl]-1H-quinolin-2-one?
The InChIKey is JXKQPZSGRUFNOU-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-3-4-10-5-7-12-11(9-10)6-8-13(15)14-12/h2-3,5-9H,4H2,1H3,(H,14,15)/b3-2+.
What are the key properties of 6-[(E)-but-2-enyl]-1H-quinolin-2-one?
6-[(E)-but-2-enyl]-1H-quinolin-2-one has a molecular weight of 199.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-enyl]-1H-quinolin-2-one is sourced from PubChem (CID 119094880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).