1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione

C10H16N2O4 — CID 23510749

IUPAC1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCN(CCO)CCO
InChIInChI=1S/C10H16N2O4/c13-7-5-11(6-8-14)3-4-12-9(15)1-2-10(12)16/h1-2,13-14H,3-8H2
InChIKeyDDXWCBLXRUSTKM-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.80
Rot. Bonds7

About 1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione

1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione (PubChem CID 23510749) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione
PubChem CID23510749
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCN(CCO)CCO
InChIInChI=1S/C10H16N2O4/c13-7-5-11(6-8-14)3-4-12-9(15)1-2-10(12)16/h1-2,13-14H,3-8H2
InChIKeyDDXWCBLXRUSTKM-UHFFFAOYSA-N
XLogP-1.80
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Hydroxyethyl)maleimide
CID 458487
(E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide
CID 15325393
N-(hydroxymethyl)-N-[2-[hydroxymethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 20291961
(E)-N',N'-bis(2-hydroxyethyl)but-2-enediamide
CID 24768982
1-[4-(2-Hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 43501399
N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide
CID 53664444
N',N'-bis(2-hydroxyethyl)but-2-enediamide
CID 54420788
1-[3-(2,5-Dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione
CID 58402351
1-[2-(2,5-Dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione
CID 66775193
1-[3-(2,5-Dioxopyrrol-1-yl)-4-hydroxybutan-2-yl]pyrrole-2,5-dione
CID 70910176
Acetyl-[2-[acetyl(methyl)amino]ethyl]-(2-hydroxyethyl)-prop-2-enoylazanium
CID 87832244
N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
CID 87839337

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione (CID 23510749) is 1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCN(CCO)CCO.
What is the InChIKey of 1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione?
The InChIKey is DDXWCBLXRUSTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-7-5-11(6-8-14)3-4-12-9(15)1-2-10(12)16/h1-2,13-14H,3-8H2.
What are the key properties of 1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione?
1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione has a molecular weight of 228.25 g/mol, XLogP of -1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 23510749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).