2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide

C8H15N3O2 — CID 106238500

IUPAC2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide
SMILES[H]/N=C1\CCCN1CCOCC(N)=O
InChIInChI=1S/C8H15N3O2/c9-7-2-1-3-11(7)4-5-13-6-8(10)12/h9H,1-6H2,(H2,10,12)/b9-7+
InChIKeyBOAJERQABHRJGB-VQHVLOKHSA-N
MW185.23 g/mol
LogP-0.44
Rot. Bonds5

About 2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide

2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide (PubChem CID 106238500) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide
PubChem CID106238500
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide
SMILES[H]/N=C1\CCCN1CCOCC(N)=O
InChIInChI=1S/C8H15N3O2/c9-7-2-1-3-11(7)4-5-13-6-8(10)12/h9H,1-6H2,(H2,10,12)/b9-7+
InChIKeyBOAJERQABHRJGB-VQHVLOKHSA-N
XLogP-0.44
TPSA79.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide (CID 106238500) is 2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide is [H]/N=C1\CCCN1CCOCC(N)=O.
What is the InChIKey of 2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide?
The InChIKey is BOAJERQABHRJGB-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-7-2-1-3-11(7)4-5-13-6-8(10)12/h9H,1-6H2,(H2,10,12)/b9-7+.
What are the key properties of 2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide?
2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide has a molecular weight of 185.23 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide is sourced from PubChem (CID 106238500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).