N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide

C13H14N2O3Se — CID 166156326

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide
SMILESO=C(CCc1ccc[se]1)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H14N2O3Se/c16-11(4-3-10-2-1-9-19-10)14-7-8-15-12(17)5-6-13(15)18/h1-2,5-6,9H,3-4,7-8H2,(H,14,16)
InChIKeySEVWFGUQJBYFQY-UHFFFAOYSA-N
MW325.23 g/mol
LogP-0.28
Rot. Bonds6

About N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide (PubChem CID 166156326) has the molecular formula C13H14N2O3Se and a molecular weight of 325.23 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide
PubChem CID166156326
Molecular FormulaC13H14N2O3Se
Molecular Weight325.23 g/mol
Exact Mass326.02
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide
SMILESO=C(CCc1ccc[se]1)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H14N2O3Se/c16-11(4-3-10-2-1-9-19-10)14-7-8-15-12(17)5-6-13(15)18/h1-2,5-6,9H,3-4,7-8H2,(H,14,16)
InChIKeySEVWFGUQJBYFQY-UHFFFAOYSA-N
XLogP-0.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 175739456
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(thiaselenin-3-yl)propanamide
CID 166156325
2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 53250845
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 51341002
2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 88941444
CID 123560915
CID 123560915
N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide
CID 58473665
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(2-prop-2-ynoxyethoxy)propanamide
CID 172937368
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide
CID 159317108
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(4-hydroxy-3-phenyldiazenylphenyl)propanamide
CID 137306185
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750
tert-butyl N-[4-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-4-oxobutyl]carbamate
CID 154932340

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide (CID 166156326) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide is O=C(CCc1ccc[se]1)NCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide?
The InChIKey is SEVWFGUQJBYFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3Se/c16-11(4-3-10-2-1-9-19-10)14-7-8-15-12(17)5-6-13(15)18/h1-2,5-6,9H,3-4,7-8H2,(H,14,16).
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide has a molecular weight of 325.23 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide is sourced from PubChem (CID 166156326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).