3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide

C13H20N2O6 — CID 78044129

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCCC(O)C(O)CCO
InChIInChI=1S/C13H20N2O6/c16-8-5-10(18)9(17)3-6-14-11(19)4-7-15-12(20)1-2-13(15)21/h1-2,9-10,16-18H,3-8H2,(H,14,19)
InChIKeyOZEFSIACKYSHDE-UHFFFAOYSA-N
MW300.31 g/mol
LogP-2.09
Rot. Bonds9

About 3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide

3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide (PubChem CID 78044129) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide
PubChem CID78044129
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCCC(O)C(O)CCO
InChIInChI=1S/C13H20N2O6/c16-8-5-10(18)9(17)3-6-14-11(19)4-7-15-12(20)1-2-13(15)21/h1-2,9-10,16-18H,3-8H2,(H,14,19)
InChIKeyOZEFSIACKYSHDE-UHFFFAOYSA-N
XLogP-2.09
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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)-N-(3,4,6-trihydroxyhexyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide (CID 78044129) is 3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide is O=C(CCN1C(=O)C=CC1=O)NCCC(O)C(O)CCO.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide?
The InChIKey is OZEFSIACKYSHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6/c16-8-5-10(18)9(17)3-6-14-11(19)4-7-15-12(20)1-2-13(15)21/h1-2,9-10,16-18H,3-8H2,(H,14,19).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide has a molecular weight of 300.31 g/mol, XLogP of -2.09, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-(3,4,6-trihydroxyhexyl)propanamide is sourced from PubChem (CID 78044129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).