3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one

C24H28N2O4 — CID 67398063

IUPAC3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(/c2cccc(OCCCCO)c2)c2ccc(C3CC3)c(=O)[nH]2)N1
InChIInChI=1S/C24H28N2O4/c27-12-1-2-13-30-19-5-3-4-17(14-19)21(15-18-8-11-23(28)25-18)22-10-9-20(16-6-7-16)24(29)26-22/h3-5,9-10,14-16,18,27H,1-2,6-8,11-13H2,(H,25,28)(H,26,29)/b21-15-/t18-/m1/s1
InChIKeyBXMZGUXICRTCCH-AFDUHFSSSA-N
MW408.50 g/mol
LogP3.11
Rot. Bonds9

About 3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one

3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (PubChem CID 67398063) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
PubChem CID67398063
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(/c2cccc(OCCCCO)c2)c2ccc(C3CC3)c(=O)[nH]2)N1
InChIInChI=1S/C24H28N2O4/c27-12-1-2-13-30-19-5-3-4-17(14-19)21(15-18-8-11-23(28)25-18)22-10-9-20(16-6-7-16)24(29)26-22/h3-5,9-10,14-16,18,27H,1-2,6-8,11-13H2,(H,25,28)(H,26,29)/b21-15-/t18-/m1/s1
InChIKeyBXMZGUXICRTCCH-AFDUHFSSSA-N
XLogP3.11
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-6-[1-(3-methoxy-4-methylsulfonylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67400339
6-[1-(3-chloro-4-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400809
6-[1-[3-chloro-4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400445
6-[(E)-1-(3-chloro-4-cyclopentyloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 58452857
3-[1-(5-chloro-6-oxo-1H-pyridin-2-yl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]benzamide
CID 67400878
3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398700
6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 58452471
3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethenyl]-1H-pyridin-2-one
CID 58452373
3-(3-hydroxy-2,2-dimethylpropoxy)-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67400825
5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one
CID 117051927
3-cyclopropyl-6-[(E)-4-hydroxy-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyridin-2-one
CID 58452675
3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452301

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (CID 67398063) is 3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is O=C1CC[C@H](/C=C(/c2cccc(OCCCCO)c2)c2ccc(C3CC3)c(=O)[nH]2)N1.
What is the InChIKey of 3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The InChIKey is BXMZGUXICRTCCH-AFDUHFSSSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-12-1-2-13-30-19-5-3-4-17(14-19)21(15-18-8-11-23(28)25-18)22-10-9-20(16-6-7-16)24(29)26-22/h3-5,9-10,14-16,18,27H,1-2,6-8,11-13H2,(H,25,28)(H,26,29)/b21-15-/t18-/m1/s1.
What are the key properties of 3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one has a molecular weight of 408.50 g/mol, XLogP of 3.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(Z)-1-[3-(4-hydroxybutoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 67398063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).