3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol

C9H14N2O5 — CID 66900124

IUPAC3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol
SMILESNC(=O)CCN1C(=O)C=CC1=O.OCCO
InChIInChI=1S/C7H8N2O3.C2H6O2/c8-5(10)3-4-9-6(11)1-2-7(9)12;3-1-2-4/h1-2H,3-4H2,(H2,8,10);3-4H,1-2H2
InChIKeyPTKMJZODEXBUIQ-UHFFFAOYSA-N
MW230.22 g/mol
LogP-2.24
Rot. Bonds4

About 3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol

3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol (PubChem CID 66900124) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol
PubChem CID66900124
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol
SMILESNC(=O)CCN1C(=O)C=CC1=O.OCCO
InChIInChI=1S/C7H8N2O3.C2H6O2/c8-5(10)3-4-9-6(11)1-2-7(9)12;3-1-2-4/h1-2H,3-4H2,(H2,8,10);3-4H,1-2H2
InChIKeyPTKMJZODEXBUIQ-UHFFFAOYSA-N
XLogP-2.24
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol (CID 66900124) is 3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol is NC(=O)CCN1C(=O)C=CC1=O.OCCO.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol?
The InChIKey is PTKMJZODEXBUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3.C2H6O2/c8-5(10)3-4-9-6(11)1-2-7(9)12;3-1-2-4/h1-2H,3-4H2,(H2,8,10);3-4H,1-2H2.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol?
3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol has a molecular weight of 230.22 g/mol, XLogP of -2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)propanamide;ethane-1,2-diol is sourced from PubChem (CID 66900124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).