1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione

C10H10N2O5 — CID 150546781

IUPAC1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione
SMILESCC(ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H10N2O5/c1-6(11-7(13)2-3-8(11)14)17-12-9(15)4-5-10(12)16/h2-3,6H,4-5H2,1H3
InChIKeyIHAKRFUIVFFGQL-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.66
Rot. Bonds3

About 1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione

1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione (PubChem CID 150546781) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione
PubChem CID150546781
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione
SMILESCC(ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H10N2O5/c1-6(11-7(13)2-3-8(11)14)17-12-9(15)4-5-10(12)16/h2-3,6H,4-5H2,1H3
InChIKeyIHAKRFUIVFFGQL-UHFFFAOYSA-N
XLogP-0.66
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione;1-[1-(2,5-dioxopyrrol-1-yl)-2-methylpropyl]pyrrole-2,5-dione
CID 161472788
(2,5-dioxopyrrolidin-1-yl) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 139426376
(Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile
CID 11644073
1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione
CID 126595986
(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoate
CID 174535443
(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate
CID 22159166
(2,5-dioxopyrrolidin-1-yl) 1-chloroethanesulfonate
CID 21225827
1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione
CID 122383158
1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione
CID 51703961
1-[1-[4-[1-(2,5-dioxopyrrol-1-yl)ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]pyrrole-2,5-dione
CID 69493446
1-[[3-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]-4-nitrophenyl]methyl]pyrrole-2,5-dione
CID 102471966
1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione
CID 118216243

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione (CID 150546781) is 1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione is CC(ON1C(=O)CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione?
The InChIKey is IHAKRFUIVFFGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-6(11-7(13)2-3-8(11)14)17-12-9(15)4-5-10(12)16/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione?
1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione has a molecular weight of 238.20 g/mol, XLogP of -0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione is sourced from PubChem (CID 150546781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).