1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane

C14H20N2O5 — CID 160561289

IUPAC1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
SMILESC.C.O=C1C=CC(=O)N1CCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H12N2O5.2CH4/c15-9-1-2-10(16)13(9)5-7-19-8-6-14-11(17)3-4-12(14)18;;/h1-4H,5-8H2;2*1H4
InChIKeyQZIOIMRXASIECX-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.13
Rot. Bonds6

About 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane

1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane (PubChem CID 160561289) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane.

Molecular Properties

Compound Name1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
PubChem CID160561289
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
SMILESC.C.O=C1C=CC(=O)N1CCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H12N2O5.2CH4/c15-9-1-2-10(16)13(9)5-7-19-8-6-14-11(17)3-4-12(14)18;;/h1-4H,5-8H2;2*1H4
InChIKeyQZIOIMRXASIECX-UHFFFAOYSA-N
XLogP0.13
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
CID 158080299
1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione
CID 77078224
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334014
1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 132917103
1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334013
1-(2-but-3-enoxyethyl)pyrrole-2,5-dione
CID 106402479
1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione
CID 18417215
1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 139443419
1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 168985617
1-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 177233739
1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione
CID 54425649
1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione
CID 58241538

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane?
The IUPAC name of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane (CID 160561289) is 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane.
What is the SMILES notation for 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane?
The canonical SMILES for 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane is C.C.O=C1C=CC(=O)N1CCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane?
The InChIKey is QZIOIMRXASIECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5.2CH4/c15-9-1-2-10(16)13(9)5-7-19-8-6-14-11(17)3-4-12(14)18;;/h1-4H,5-8H2;2*1H4.
What are the key properties of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane?
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane has a molecular weight of 296.32 g/mol, XLogP of 0.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane is sourced from PubChem (CID 160561289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).