3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione

C16H21NO2 — CID 71287959

IUPAC3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione
SMILESCCCc1ccc(N2C(=O)CC(C(C)C)C2=O)cc1
InChIInChI=1S/C16H21NO2/c1-4-5-12-6-8-13(9-7-12)17-15(18)10-14(11(2)3)16(17)19/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyMATQILKGIZOQCB-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.17
Rot. Bonds4

About 3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione

3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione (PubChem CID 71287959) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione
PubChem CID71287959
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione
SMILESCCCc1ccc(N2C(=O)CC(C(C)C)C2=O)cc1
InChIInChI=1S/C16H21NO2/c1-4-5-12-6-8-13(9-7-12)17-15(18)10-14(11(2)3)16(17)19/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyMATQILKGIZOQCB-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 145439446
(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 102380691
3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane
CID 163496658
3-pentan-2-yl-1-phenylpyrrolidine-2,5-dione
CID 122494983
(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione
CID 98395221
(3S)-3-[(1S)-1-hydroxybutyl]-1-phenylpyrrolidine-2,5-dione
CID 101392565
5-methyl-2-(4-propylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2732200
(1S,2S,6R,7R,8S,10R)-4-(4-propylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodecane-3,5-dione
CID 68543268
2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]propanal
CID 139259717
3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide
CID 135218138
3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 138958718
1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865903

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione (CID 71287959) is 3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione is CCCc1ccc(N2C(=O)CC(C(C)C)C2=O)cc1.
What is the InChIKey of 3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione?
The InChIKey is MATQILKGIZOQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-5-12-6-8-13(9-7-12)17-15(18)10-14(11(2)3)16(17)19/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of 3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione?
3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione has a molecular weight of 259.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 71287959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).