N-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide

C11H16N2O3 — CID 58771416

IUPACN-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide
SMILESCC(=O)NC(C)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-8(12-9(2)14)4-3-7-13-10(15)5-6-11(13)16/h5-6,8H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyHRDAWHBFVBZFCD-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.22
Rot. Bonds5

About N-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide

N-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide (PubChem CID 58771416) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide
PubChem CID58771416
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide
SMILESCC(=O)NC(C)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-8(12-9(2)14)4-3-7-13-10(15)5-6-11(13)16/h5-6,8H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyHRDAWHBFVBZFCD-UHFFFAOYSA-N
XLogP0.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide?
The IUPAC name of N-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide (CID 58771416) is N-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide.
What is the SMILES notation for N-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide?
The canonical SMILES for N-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide is CC(=O)NC(C)CCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide?
The InChIKey is HRDAWHBFVBZFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(12-9(2)14)4-3-7-13-10(15)5-6-11(13)16/h5-6,8H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of N-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide?
N-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide has a molecular weight of 224.26 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dioxopyrrol-1-yl)pentan-2-yl]acetamide is sourced from PubChem (CID 58771416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).