2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal

C23H33NO3 — CID 139259704

IUPAC2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal
SMILESCCCCCCCCC(C=O)(CC)[C@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C23H33NO3/c1-3-5-6-7-8-12-15-23(4-2,18-25)20-16-21(26)24(22(20)27)17-19-13-10-9-11-14-19/h9-11,13-14,18,20H,3-8,12,15-17H2,1-2H3/t20-,23?/m0/s1
InChIKeyJKEYNAFOJFNUGJ-AJZOCDQUSA-N
MW371.52 g/mol
LogP4.91
Rot. Bonds12

About 2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal

2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal (PubChem CID 139259704) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal.

Molecular Properties

Compound Name2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal
PubChem CID139259704
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal
SMILESCCCCCCCCC(C=O)(CC)[C@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C23H33NO3/c1-3-5-6-7-8-12-15-23(4-2,18-25)20-16-21(26)24(22(20)27)17-19-13-10-9-11-14-19/h9-11,13-14,18,20H,3-8,12,15-17H2,1-2H3/t20-,23?/m0/s1
InChIKeyJKEYNAFOJFNUGJ-AJZOCDQUSA-N
XLogP4.91
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]butanal
CID 139259675
1-benzyl-3-pentoxypyrrolidine-2,5-dione
CID 67816194
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal
CID 139259707
2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal
CID 139259686
1-benzyl-3-ethylsulfanylpyrrolidine-2,5-dione
CID 132966694
N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-oxidoheptanamide
CID 2006792
(3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
CID 945717
1-benzyl-3-(5-oxononan-4-yl)pyrrolidine-2,5-dione
CID 139259755
ethyl 2-benzyl-2-(1-benzyl-2,5-dioxopyrrolidin-3-yl)-3-oxobutanoate
CID 139259633
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal?
The IUPAC name of 2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal (CID 139259704) is 2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal.
What is the SMILES notation for 2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal?
The canonical SMILES for 2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal is CCCCCCCCC(C=O)(CC)[C@H]1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal?
The InChIKey is JKEYNAFOJFNUGJ-AJZOCDQUSA-N. The full InChI is InChI=1S/C23H33NO3/c1-3-5-6-7-8-12-15-23(4-2,18-25)20-16-21(26)24(22(20)27)17-19-13-10-9-11-14-19/h9-11,13-14,18,20H,3-8,12,15-17H2,1-2H3/t20-,23?/m0/s1.
What are the key properties of 2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal?
2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal has a molecular weight of 371.52 g/mol, XLogP of 4.91, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal is sourced from PubChem (CID 139259704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).