1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one

C22H25NO2 — CID 90696159

IUPAC1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one
SMILESCC1=CC2=CC(=CC=C1)C(CCC(=O)N1CCC=CC1=O)C1CC2C1
InChIInChI=1S/C22H25NO2/c1-15-5-4-6-16-12-17(11-15)18-13-19(14-18)20(16)8-9-22(25)23-10-3-2-7-21(23)24/h2,4-7,11-12,18-20H,3,8-10,13-14H2,1H3
InChIKeyJLKJYNCZVXDPRP-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.11
Rot. Bonds3

About 1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one

1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one (PubChem CID 90696159) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one
PubChem CID90696159
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one
SMILESCC1=CC2=CC(=CC=C1)C(CCC(=O)N1CCC=CC1=O)C1CC2C1
InChIInChI=1S/C22H25NO2/c1-15-5-4-6-16-12-17(11-15)18-13-19(14-18)20(16)8-9-22(25)23-10-3-2-7-21(23)24/h2,4-7,11-12,18-20H,3,8-10,13-14H2,1H3
InChIKeyJLKJYNCZVXDPRP-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one (CID 90696159) is 1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one is CC1=CC2=CC(=CC=C1)C(CCC(=O)N1CCC=CC1=O)C1CC2C1.
What is the InChIKey of 1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one?
The InChIKey is JLKJYNCZVXDPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-15-5-4-6-16-12-17(11-15)18-13-19(14-18)20(16)8-9-22(25)23-10-3-2-7-21(23)24/h2,4-7,11-12,18-20H,3,8-10,13-14H2,1H3.
What are the key properties of 1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one?
1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one has a molecular weight of 335.45 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 90696159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).