6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one

C16H18ClNO2 — CID 153451217

IUPAC6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
SMILESC=CCOc1ccc(C2=CCCC(=O)N2CC)c(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-3-10-20-12-8-9-13(14(17)11-12)15-6-5-7-16(19)18(15)4-2/h3,6,8-9,11H,1,4-5,7,10H2,2H3
InChIKeyFTXJSAXARQMJLY-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.89
Rot. Bonds5

About 6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one

6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one (PubChem CID 153451217) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
PubChem CID153451217
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
SMILESC=CCOc1ccc(C2=CCCC(=O)N2CC)c(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-3-10-20-12-8-9-13(14(17)11-12)15-6-5-7-16(19)18(15)4-2/h3,6,8-9,11H,1,4-5,7,10H2,2H3
InChIKeyFTXJSAXARQMJLY-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one?
The IUPAC name of 6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one (CID 153451217) is 6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one is C=CCOc1ccc(C2=CCCC(=O)N2CC)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one?
The InChIKey is FTXJSAXARQMJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-10-20-12-8-9-13(14(17)11-12)15-6-5-7-16(19)18(15)4-2/h3,6,8-9,11H,1,4-5,7,10H2,2H3.
What are the key properties of 6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one?
6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one has a molecular weight of 291.78 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).