3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide

C12H16N2O5 — CID 22961656

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide
SMILESCC(=O)COCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H16N2O5/c1-9(15)8-19-7-5-13-10(16)4-6-14-11(17)2-3-12(14)18/h2-3H,4-8H2,1H3,(H,13,16)
InChIKeyXWPSZNAECMFVQK-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.98
Rot. Bonds8

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide (PubChem CID 22961656) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide
PubChem CID22961656
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide
SMILESCC(=O)COCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H16N2O5/c1-9(15)8-19-7-5-13-10(16)4-6-14-11(17)2-3-12(14)18/h2-3H,4-8H2,1H3,(H,13,16)
InChIKeyXWPSZNAECMFVQK-UHFFFAOYSA-N
XLogP-0.98
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(2-oxopropoxy)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide (CID 22961656) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide is CC(=O)COCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide?
The InChIKey is XWPSZNAECMFVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-9(15)8-19-7-5-13-10(16)4-6-14-11(17)2-3-12(14)18/h2-3H,4-8H2,1H3,(H,13,16).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide has a molecular weight of 268.27 g/mol, XLogP of -0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide is sourced from PubChem (CID 22961656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).