methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione

C11H21NO4 — CID 158080299

IUPACmethane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
SMILESC.C.COCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO4.2CH4/c1-13-6-7-14-5-4-10-8(11)2-3-9(10)12;;/h2-3H,4-7H2,1H3;2*1H4
InChIKeyFMWJMUCSHPLBIX-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.85
Rot. Bonds6

About methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione

methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione (PubChem CID 158080299) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Namemethane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
PubChem CID158080299
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
SMILESC.C.COCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO4.2CH4/c1-13-6-7-14-5-4-10-8(11)2-3-9(10)12;;/h2-3H,4-7H2,1H3;2*1H4
InChIKeyFMWJMUCSHPLBIX-UHFFFAOYSA-N
XLogP0.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
CID 160561289
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-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 177233739
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
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide;methane
CID 172871711
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione
CID 77078224
1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione
CID 54425649
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-ethylpropanamide
CID 144940675

Frequently Asked Questions

What is the IUPAC name of methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione?
The IUPAC name of methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione (CID 158080299) is methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione?
The canonical SMILES for methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione is C.C.COCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione?
The InChIKey is FMWJMUCSHPLBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4.2CH4/c1-13-6-7-14-5-4-10-8(11)2-3-9(10)12;;/h2-3H,4-7H2,1H3;2*1H4.
What are the key properties of methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione?
methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione has a molecular weight of 231.29 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 158080299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).