N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

C10H16N2O4 — CID 90191256

IUPACN-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC1CC(=O)N(CCC(=O)NCCO)C1=O
InChIInChI=1S/C10H16N2O4/c1-7-6-9(15)12(10(7)16)4-2-8(14)11-3-5-13/h7,13H,2-6H2,1H3,(H,11,14)
InChIKeyOMOHQTMVXWRUBR-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.12
Rot. Bonds5

About N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 90191256) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID90191256
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC NameN-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC1CC(=O)N(CCC(=O)NCCO)C1=O
InChIInChI=1S/C10H16N2O4/c1-7-6-9(15)12(10(7)16)4-2-8(14)11-3-5-13/h7,13H,2-6H2,1H3,(H,11,14)
InChIKeyOMOHQTMVXWRUBR-UHFFFAOYSA-N
XLogP-1.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 90191256) is N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is CC1CC(=O)N(CCC(=O)NCCO)C1=O.
What is the InChIKey of N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is OMOHQTMVXWRUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7-6-9(15)12(10(7)16)4-2-8(14)11-3-5-13/h7,13H,2-6H2,1H3,(H,11,14).
What are the key properties of N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 228.25 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 90191256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).