2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal

C15H18N2O6 — CID 169179301

IUPAC2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal
SMILESO=CC(CCCCN1C(=O)C=CC1=O)CON1C(=O)CCC1=O
InChIInChI=1S/C15H18N2O6/c18-9-11(10-23-17-14(21)6-7-15(17)22)3-1-2-8-16-12(19)4-5-13(16)20/h4-5,9,11H,1-3,6-8,10H2
InChIKeyDREAXUNBHGTTSY-UHFFFAOYSA-N
MW322.32 g/mol
LogP-0.02
Rot. Bonds9

About 2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal

2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal (PubChem CID 169179301) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal.

Molecular Properties

Compound Name2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal
PubChem CID169179301
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal
SMILESO=CC(CCCCN1C(=O)C=CC1=O)CON1C(=O)CCC1=O
InChIInChI=1S/C15H18N2O6/c18-9-11(10-23-17-14(21)6-7-15(17)22)3-1-2-8-16-12(19)4-5-13(16)20/h4-5,9,11H,1-3,6-8,10H2
InChIKeyDREAXUNBHGTTSY-UHFFFAOYSA-N
XLogP-0.02
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione
CID 126595986
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-sulfanylbutanoate
CID 130281915
1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 90373293
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
CID 159972941
(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid
CID 129395620
N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide
CID 177148966
4-[4-(2,5-dioxopyrrol-1-yl)butyl]pent-2-enedioic acid
CID 66635983
[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-phenylmethyl] 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 90373307
(2R)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 10513406
tricalcium;bis(4-[4-(2,5-dioxopyrrol-1-yl)butyl]pent-2-enedioic acid);hydride
CID 173003249
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoate
CID 175170577
5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid
CID 22078143

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal?
The IUPAC name of 2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal (CID 169179301) is 2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal.
What is the SMILES notation for 2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal?
The canonical SMILES for 2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal is O=CC(CCCCN1C(=O)C=CC1=O)CON1C(=O)CCC1=O.
What is the InChIKey of 2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal?
The InChIKey is DREAXUNBHGTTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c18-9-11(10-23-17-14(21)6-7-15(17)22)3-1-2-8-16-12(19)4-5-13(16)20/h4-5,9,11H,1-3,6-8,10H2.
What are the key properties of 2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal?
2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal has a molecular weight of 322.32 g/mol, XLogP of -0.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal is sourced from PubChem (CID 169179301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).