1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one

C12H13NO2 — CID 67005013

IUPAC1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
SMILESCOc1ccc(N2CCC=CC2=O)cc1
InChIInChI=1S/C12H13NO2/c1-15-11-7-5-10(6-8-11)13-9-3-2-4-12(13)14/h2,4-8H,3,9H2,1H3
InChIKeyCLTXMUHPFVNDFE-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.99
Rot. Bonds2

About 1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one

1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one (PubChem CID 67005013) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
PubChem CID67005013
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
SMILESCOc1ccc(N2CCC=CC2=O)cc1
InChIInChI=1S/C12H13NO2/c1-15-11-7-5-10(6-8-11)13-9-3-2-4-12(13)14/h2,4-8H,3,9H2,1H3
InChIKeyCLTXMUHPFVNDFE-UHFFFAOYSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one?
The IUPAC name of 1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one (CID 67005013) is 1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one is COc1ccc(N2CCC=CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one?
The InChIKey is CLTXMUHPFVNDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-11-7-5-10(6-8-11)13-9-3-2-4-12(13)14/h2,4-8H,3,9H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one?
1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one has a molecular weight of 203.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 67005013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).