3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane

C23H37NO2 — CID 163496658

IUPAC3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane
SMILESCCCCCCCCC.CCCc1ccc(N2C(=O)CC(C)C2=O)cc1
InChIInChI=1S/C14H17NO2.C9H20/c1-3-4-11-5-7-12(8-6-11)15-13(16)9-10(2)14(15)17;1-3-5-7-9-8-6-4-2/h5-8,10H,3-4,9H2,1-2H3;3-9H2,1-2H3
InChIKeyCRHPOVGSBKAGCV-UHFFFAOYSA-N
MW359.55 g/mol
LogP6.30
Rot. Bonds9

About 3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane

3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane (PubChem CID 163496658) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane.

Molecular Properties

Compound Name3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane
PubChem CID163496658
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane
SMILESCCCCCCCCC.CCCc1ccc(N2C(=O)CC(C)C2=O)cc1
InChIInChI=1S/C14H17NO2.C9H20/c1-3-4-11-5-7-12(8-6-11)15-13(16)9-10(2)14(15)17;1-3-5-7-9-8-6-4-2/h5-8,10H,3-4,9H2,1-2H3;3-9H2,1-2H3
InChIKeyCRHPOVGSBKAGCV-UHFFFAOYSA-N
XLogP6.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione
CID 71287959
2-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 54905077
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione
CID 126704529
(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione
CID 98395221
3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 138958718
1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 138958736
1-(3-amino-4-ethylphenyl)-3-methylpyrrolidine-2,5-dione
CID 54905545
4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 7829632
benzyl-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
CID 7329798
2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-N-octylacetamide
CID 166462604
3-methyl-1-propylpyrrolidine-2,5-dione;nonane
CID 163913553

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane?
The IUPAC name of 3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane (CID 163496658) is 3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane.
What is the SMILES notation for 3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane?
The canonical SMILES for 3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane is CCCCCCCCC.CCCc1ccc(N2C(=O)CC(C)C2=O)cc1.
What is the InChIKey of 3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane?
The InChIKey is CRHPOVGSBKAGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.C9H20/c1-3-4-11-5-7-12(8-6-11)15-13(16)9-10(2)14(15)17;1-3-5-7-9-8-6-4-2/h5-8,10H,3-4,9H2,1-2H3;3-9H2,1-2H3.
What are the key properties of 3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane?
3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane has a molecular weight of 359.55 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane is sourced from PubChem (CID 163496658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).