3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione

C16H20N2O6 — CID 139764566

IUPAC3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione
SMILESCCCC1=C(OCCOC2=C(CCC)C(=O)NC2=O)C(=O)NC1=O
InChIInChI=1S/C16H20N2O6/c1-3-5-9-11(15(21)17-13(9)19)23-7-8-24-12-10(6-4-2)14(20)18-16(12)22/h3-8H2,1-2H3,(H,17,19,21)(H,18,20,22)
InChIKeyKDHKLVOIFNMOLZ-UHFFFAOYSA-N
MW336.34 g/mol
LogP0.44
Rot. Bonds9

About 3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione

3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione (PubChem CID 139764566) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is 3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione
PubChem CID139764566
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione
SMILESCCCC1=C(OCCOC2=C(CCC)C(=O)NC2=O)C(=O)NC1=O
InChIInChI=1S/C16H20N2O6/c1-3-5-9-11(15(21)17-13(9)19)23-7-8-24-12-10(6-4-2)14(20)18-16(12)22/h3-8H2,1-2H3,(H,17,19,21)(H,18,20,22)
InChIKeyKDHKLVOIFNMOLZ-UHFFFAOYSA-N
XLogP0.44
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethyl-4-[2-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione
CID 57346877
3-amino-4-pentylpyrrole-2,5-dione
CID 174783559
3-heptyl-4-methylpyrrole-2,5-dione
CID 19809262
2-methyl-3-propylnaphthalene-1,4-dione
CID 12765187
2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one
CID 86058900
2-hexyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 15294744
3-butylpyrrole-2,5-dione
CID 159512503
1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one
CID 132604356
(4Z)-6-butoxy-4-(methoxymethylidene)isoquinoline-1,3-dione
CID 82062800
2-propan-2-yloxy-3-propylnaphthalene-1,4-dione
CID 19872802
3-(4-propylphenyl)pyrrole-2,5-dione
CID 82113670
dipropyl 1,3-dioxoisoindole-5,6-dicarboxylate
CID 142764912

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione?
The IUPAC name of 3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione (CID 139764566) is 3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione.
What is the SMILES notation for 3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione?
The canonical SMILES for 3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione is CCCC1=C(OCCOC2=C(CCC)C(=O)NC2=O)C(=O)NC1=O.
What is the InChIKey of 3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione?
The InChIKey is KDHKLVOIFNMOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-3-5-9-11(15(21)17-13(9)19)23-7-8-24-12-10(6-4-2)14(20)18-16(12)22/h3-8H2,1-2H3,(H,17,19,21)(H,18,20,22).
What are the key properties of 3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione?
3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione has a molecular weight of 336.34 g/mol, XLogP of 0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione is sourced from PubChem (CID 139764566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).