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

C23H26N2O2S — CID 67399192

IUPAC6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
SMILESCSc1ccc(C(=C[C@H]2CCN(C(C)=O)C2)c2ccc(C3CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C23H26N2O2S/c1-15(26)25-12-11-16(14-25)13-21(18-5-7-19(28-2)8-6-18)22-10-9-20(17-3-4-17)23(27)24-22/h5-10,13,16-17H,3-4,11-12,14H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyPUNYIIMEXNYZSY-MRXNPFEDSA-N
MW394.54 g/mol
LogP4.27
Rot. Bonds5

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

6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one (PubChem CID 67399192) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
PubChem CID67399192
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
SMILESCSc1ccc(C(=C[C@H]2CCN(C(C)=O)C2)c2ccc(C3CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C23H26N2O2S/c1-15(26)25-12-11-16(14-25)13-21(18-5-7-19(28-2)8-6-18)22-10-9-20(17-3-4-17)23(27)24-22/h5-10,13,16-17H,3-4,11-12,14H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyPUNYIIMEXNYZSY-MRXNPFEDSA-N
XLogP4.27
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one with MolForge

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Related Compounds

6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399724
6-[1-(3-chloro-4-methylsulfanylphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67398693
3-cyclopropyl-6-[(Z)-1-(4-methylsulfonylphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-1H-pyridin-2-one
CID 67399450
3-cyclopropyl-6-[(E)-1-(4-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452244
3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67400265
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one
CID 67398478
3-chloro-6-[(E)-2-[(2R)-1-methyl-5-oxopyrrolidin-2-yl]-1-(4-methylsulfanylphenyl)ethenyl]-1H-pyridin-2-one
CID 58452307
6-[1-(3-chloro-4-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400809
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398857
3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)-3-fluorophenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 53245893
(4-chloropiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 79205656
(3-bromopyrrolidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 80678075

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one?
The IUPAC name of 6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one (CID 67399192) is 6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one?
The canonical SMILES for 6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one is CSc1ccc(C(=C[C@H]2CCN(C(C)=O)C2)c2ccc(C3CC3)c(=O)[nH]2)cc1.
What is the InChIKey of 6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one?
The InChIKey is PUNYIIMEXNYZSY-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-15(26)25-12-11-16(14-25)13-21(18-5-7-19(28-2)8-6-18)22-10-9-20(17-3-4-17)23(27)24-22/h5-10,13,16-17H,3-4,11-12,14H2,1-2H3,(H,24,27)/t16-/m1/s1.
What are the key properties of 6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one?
6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one has a molecular weight of 394.54 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3R)-1-acetylpyrrolidin-3-yl]-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one is sourced from PubChem (CID 67399192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).