N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide

C8H15N3O — CID 43566366

IUPACN-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide
SMILES[H]/N=C1\CCCN1CC(=O)NCC
InChIInChI=1S/C8H15N3O/c1-2-10-8(12)6-11-5-3-4-7(11)9/h9H,2-6H2,1H3,(H,10,12)/b9-7+
InChIKeyHRHFRFFMZQRXFS-VQHVLOKHSA-N
MW169.23 g/mol
LogP0.20
Rot. Bonds3

About N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide

N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide (PubChem CID 43566366) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide
PubChem CID43566366
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide
SMILES[H]/N=C1\CCCN1CC(=O)NCC
InChIInChI=1S/C8H15N3O/c1-2-10-8(12)6-11-5-3-4-7(11)9/h9H,2-6H2,1H3,(H,10,12)/b9-7+
InChIKeyHRHFRFFMZQRXFS-VQHVLOKHSA-N
XLogP0.20
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide (CID 43566366) is N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide is [H]/N=C1\CCCN1CC(=O)NCC.
What is the InChIKey of N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide?
The InChIKey is HRHFRFFMZQRXFS-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-10-8(12)6-11-5-3-4-7(11)9/h9H,2-6H2,1H3,(H,10,12)/b9-7+.
What are the key properties of N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide?
N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide has a molecular weight of 169.23 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 43566366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).