1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one

C21H25NO — CID 102438702

IUPAC1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(C23CC4CC(CC(C4)C2)C3)C(c2ccccc2)C1
InChIInChI=1S/C21H25NO/c23-19-6-7-22(20(11-19)18-4-2-1-3-5-18)21-12-15-8-16(13-21)10-17(9-15)14-21/h1-7,15-17,20H,8-14H2
InChIKeySZYQIPIPOPQZCK-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.49
Rot. Bonds2

About 1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one

1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one (PubChem CID 102438702) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one
PubChem CID102438702
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(C23CC4CC(CC(C4)C2)C3)C(c2ccccc2)C1
InChIInChI=1S/C21H25NO/c23-19-6-7-22(20(11-19)18-4-2-1-3-5-18)21-12-15-8-16(13-21)10-17(9-15)14-21/h1-7,15-17,20H,8-14H2
InChIKeySZYQIPIPOPQZCK-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,2-trimethyl-5-phenylpyrrolidin-3-one
CID 6420665
1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one
CID 10956806
methyl (2S)-2-[(2R)-4-oxo-2-phenyl-2,3-dihydropyridin-1-yl]-2-phenylacetate
CID 10087413
1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 163331836
1-(2-aminoethyl)-5-phenylpyrazolidin-3-one
CID 105457731
4,4,6-triphenylcyclohex-2-en-1-one
CID 11012776
1-methyl-6-phenylpiperidine-2,4-dione
CID 10035783
N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 51925999
4,5-diphenylcyclohex-2-en-1-one
CID 12617897
1-phenylspiro[1,2-dihydropyrazolo[1,2-b]phthalazine-3,1'-cyclopropane]-5,10-dione
CID 569131
1-[2-(2-chloro-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one
CID 59377692
1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one
CID 46834941

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one (CID 102438702) is 1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one is O=C1C=CN(C23CC4CC(CC(C4)C2)C3)C(c2ccccc2)C1.
What is the InChIKey of 1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one?
The InChIKey is SZYQIPIPOPQZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c23-19-6-7-22(20(11-19)18-4-2-1-3-5-18)21-12-15-8-16(13-21)10-17(9-15)14-21/h1-7,15-17,20H,8-14H2.
What are the key properties of 1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one?
1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one has a molecular weight of 307.44 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-phenyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 102438702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).