1-benzyl-3-pentoxypyrrolidine-2,5-dione

C16H21NO3 — CID 67816194

IUPAC1-benzyl-3-pentoxypyrrolidine-2,5-dione
SMILESCCCCCOC1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H21NO3/c1-2-3-7-10-20-14-11-15(18)17(16(14)19)12-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3
InChIKeyCJBKYVKIRBKFGD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.52
Rot. Bonds7

About 1-benzyl-3-pentoxypyrrolidine-2,5-dione

1-benzyl-3-pentoxypyrrolidine-2,5-dione (PubChem CID 67816194) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-benzyl-3-pentoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-pentoxypyrrolidine-2,5-dione
PubChem CID67816194
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-benzyl-3-pentoxypyrrolidine-2,5-dione
SMILESCCCCCOC1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H21NO3/c1-2-3-7-10-20-14-11-15(18)17(16(14)19)12-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3
InChIKeyCJBKYVKIRBKFGD-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one
CID 150739756
(3R,4R)-1-benzyl-3,4-dioctadecoxypyrrolidine
CID 86682221
N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-oxidoheptanamide
CID 2006792
(3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
CID 945717
4-O-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl] 1-O-methyl (E)-but-2-enedioate
CID 122482294
1-benzyl-3-ethylsulfanylpyrrolidine-2,5-dione
CID 132966694
2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal
CID 139259704
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
1-benzyl-3-(5-oxononan-4-yl)pyrrolidine-2,5-dione
CID 139259755
1-butanoyl-3-pentoxypyrrolidine-2,5-dione
CID 174711752
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
1-benzyl-3,4-bis(octadec-9-enoxy)pyrrolidine
CID 123163357

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-pentoxypyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-pentoxypyrrolidine-2,5-dione (CID 67816194) is 1-benzyl-3-pentoxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-pentoxypyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-pentoxypyrrolidine-2,5-dione is CCCCCOC1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-pentoxypyrrolidine-2,5-dione?
The InChIKey is CJBKYVKIRBKFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-3-7-10-20-14-11-15(18)17(16(14)19)12-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3.
What are the key properties of 1-benzyl-3-pentoxypyrrolidine-2,5-dione?
1-benzyl-3-pentoxypyrrolidine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-pentoxypyrrolidine-2,5-dione is sourced from PubChem (CID 67816194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).