3-methyl-1-propylpyrrolidine-2,5-dione;nonane

C17H33NO2 — CID 163913553

IUPAC3-methyl-1-propylpyrrolidine-2,5-dione;nonane
SMILESCCCCCCCCC.CCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C9H20.C8H13NO2/c1-3-5-7-9-8-6-4-2;1-3-4-9-7(10)5-6(2)8(9)11/h3-9H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyQUGVVQVGLXCCAS-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.55
Rot. Bonds8

About 3-methyl-1-propylpyrrolidine-2,5-dione;nonane

3-methyl-1-propylpyrrolidine-2,5-dione;nonane (PubChem CID 163913553) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-methyl-1-propylpyrrolidine-2,5-dione;nonane.

Molecular Properties

Compound Name3-methyl-1-propylpyrrolidine-2,5-dione;nonane
PubChem CID163913553
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name3-methyl-1-propylpyrrolidine-2,5-dione;nonane
SMILESCCCCCCCCC.CCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C9H20.C8H13NO2/c1-3-5-7-9-8-6-4-2;1-3-4-9-7(10)5-6(2)8(9)11/h3-9H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyQUGVVQVGLXCCAS-UHFFFAOYSA-N
XLogP4.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.55
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

(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
1-(6-chlorohexyl)-3-methylpyrrolidine-2,5-dione
CID 62227239
1-[4-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)butyl]-3-methylpyrrolidine-2,5-dione
CID 89185151
CID 59941556
CID 59941556
1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione
CID 61236993
1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione
CID 167599335
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanal
CID 142459626
1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 159504382
3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
CID 54496273
1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784409

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propylpyrrolidine-2,5-dione;nonane?
The IUPAC name of 3-methyl-1-propylpyrrolidine-2,5-dione;nonane (CID 163913553) is 3-methyl-1-propylpyrrolidine-2,5-dione;nonane.
What is the SMILES notation for 3-methyl-1-propylpyrrolidine-2,5-dione;nonane?
The canonical SMILES for 3-methyl-1-propylpyrrolidine-2,5-dione;nonane is CCCCCCCCC.CCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-methyl-1-propylpyrrolidine-2,5-dione;nonane?
The InChIKey is QUGVVQVGLXCCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C8H13NO2/c1-3-5-7-9-8-6-4-2;1-3-4-9-7(10)5-6(2)8(9)11/h3-9H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 3-methyl-1-propylpyrrolidine-2,5-dione;nonane?
3-methyl-1-propylpyrrolidine-2,5-dione;nonane has a molecular weight of 283.46 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propylpyrrolidine-2,5-dione;nonane is sourced from PubChem (CID 163913553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).