1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione

C18H23NO3 — CID 145439446

IUPAC1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(=O)CCCc1ccc(N2C(=O)CC(C(C)C)C2=O)cc1
InChIInChI=1S/C18H23NO3/c1-12(2)16-11-17(21)19(18(16)22)15-9-7-14(8-10-15)6-4-5-13(3)20/h7-10,12,16H,4-6,11H2,1-3H3
InChIKeyVKCKVWAWRNJENH-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.13
Rot. Bonds6

About 1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione

1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 145439446) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID145439446
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(=O)CCCc1ccc(N2C(=O)CC(C(C)C)C2=O)cc1
InChIInChI=1S/C18H23NO3/c1-12(2)16-11-17(21)19(18(16)22)15-9-7-14(8-10-15)6-4-5-13(3)20/h7-10,12,16H,4-6,11H2,1-3H3
InChIKeyVKCKVWAWRNJENH-UHFFFAOYSA-N
XLogP3.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione
CID 71287959
(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 102380691
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
3-(2,4-dioxopentan-3-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 146162889
tert-butyl 4-[4-(3-tert-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)phenyl]butanoate
CID 139404960
(3S)-1-(4-acetylphenyl)-3-(2,4-dioxopentan-3-yl)pyrrolidine-2,5-dione
CID 71614351
3-(2,4-dioxopentan-3-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 146162656
3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide
CID 135218138
3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione
CID 126704529
4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid
CID 86174212
4-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]benzoic acid
CID 2973798
4-[(3R)-2,5-dioxo-3-[(1S)-1-phenylethyl]pyrrolidin-1-yl]benzoic acid
CID 1250566

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione (CID 145439446) is 1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione is CC(=O)CCCc1ccc(N2C(=O)CC(C(C)C)C2=O)cc1.
What is the InChIKey of 1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is VKCKVWAWRNJENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12(2)16-11-17(21)19(18(16)22)15-9-7-14(8-10-15)6-4-5-13(3)20/h7-10,12,16H,4-6,11H2,1-3H3.
What are the key properties of 1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione?
1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 301.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 145439446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).