6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one

C22H25NOS — CID 67399724

IUPAC6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
SMILESCSc1ccc(C(=CC2CCCC2)c2ccc(C3CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C22H25NOS/c1-25-18-10-8-17(9-11-18)20(14-15-4-2-3-5-15)21-13-12-19(16-6-7-16)22(24)23-21/h8-16H,2-7H2,1H3,(H,23,24)
InChIKeyAZCPUAFAKLNHOC-UHFFFAOYSA-N
MW351.52 g/mol
LogP5.60
Rot. Bonds5

About 6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one

6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one (PubChem CID 67399724) has the molecular formula C22H25NOS and a molecular weight of 351.52 g/mol. Its IUPAC name is 6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
PubChem CID67399724
Molecular FormulaC22H25NOS
Molecular Weight351.52 g/mol
Exact Mass351.17
IUPAC Name6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
SMILESCSc1ccc(C(=CC2CCCC2)c2ccc(C3CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C22H25NOS/c1-25-18-10-8-17(9-11-18)20(14-15-4-2-3-5-15)21-13-12-19(16-6-7-16)22(24)23-21/h8-16H,2-7H2,1H3,(H,23,24)
InChIKeyAZCPUAFAKLNHOC-UHFFFAOYSA-N
XLogP5.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.52
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399192
6-[1-(3-chloro-4-methylsulfanylphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67398693
3-cyclopropyl-6-[(E)-1-(4-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452244
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one
CID 67398478
3-cyclopropyl-6-[(Z)-1-(3,4-difluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67399056
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398857
6-[1-(3-chloro-4-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400809
3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one
CID 58452307
3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452771
3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)-3-fluorophenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 53245893
6-[(E)-1-(3-chloro-4-cyclopentyloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 58452857
3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one
CID 58452675

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one?
The IUPAC name of 6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one (CID 67399724) is 6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one?
The canonical SMILES for 6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one is CSc1ccc(C(=CC2CCCC2)c2ccc(C3CC3)c(=O)[nH]2)cc1.
What is the InChIKey of 6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one?
The InChIKey is AZCPUAFAKLNHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NOS/c1-25-18-10-8-17(9-11-18)20(14-15-4-2-3-5-15)21-13-12-19(16-6-7-16)22(24)23-21/h8-16H,2-7H2,1H3,(H,23,24).
What are the key properties of 6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one?
6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one has a molecular weight of 351.52 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one is sourced from PubChem (CID 67399724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).