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

C10H13N5O4 — CID 122675012

IUPACN-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILES[N-]=[N+]=NCCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C10H13N5O4/c11-14-13-4-6-19-5-3-12-8(16)7-15-9(17)1-2-10(15)18/h1-2H,3-7H2,(H,12,16)
InChIKeyVKTMDGNQQMLWHY-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.65
Rot. Bonds8

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

N-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide (PubChem CID 122675012) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
PubChem CID122675012
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILES[N-]=[N+]=NCCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C10H13N5O4/c11-14-13-4-6-19-5-3-12-8(16)7-15-9(17)1-2-10(15)18/h1-2H,3-7H2,(H,12,16)
InChIKeyVKTMDGNQQMLWHY-UHFFFAOYSA-N
XLogP-0.65
TPSA124.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The IUPAC name of N-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide (CID 122675012) is N-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide is [N-]=[N+]=NCCOCCNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The InChIKey is VKTMDGNQQMLWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-14-13-4-6-19-5-3-12-8(16)7-15-9(17)1-2-10(15)18/h1-2H,3-7H2,(H,12,16).
What are the key properties of N-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
N-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide has a molecular weight of 267.25 g/mol, XLogP of -0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-azidoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide is sourced from PubChem (CID 122675012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).