2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide

C9H17N3O — CID 43567925

IUPAC2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide
SMILES[H]/N=C1\CCCN1CC(=O)NC(C)C
InChIInChI=1S/C9H17N3O/c1-7(2)11-9(13)6-12-5-3-4-8(12)10/h7,10H,3-6H2,1-2H3,(H,11,13)/b10-8+
InChIKeyIJEJFTYXWMZLRW-CSKARUKUSA-N
MW183.26 g/mol
LogP0.58
Rot. Bonds3

About 2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide

2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 43567925) has the molecular formula C9H17N3O and a molecular weight of 183.26 g/mol. Its IUPAC name is 2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide
PubChem CID43567925
Molecular FormulaC9H17N3O
Molecular Weight183.26 g/mol
Exact Mass183.14
IUPAC Name2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide
SMILES[H]/N=C1\CCCN1CC(=O)NC(C)C
InChIInChI=1S/C9H17N3O/c1-7(2)11-9(13)6-12-5-3-4-8(12)10/h7,10H,3-6H2,1-2H3,(H,11,13)/b10-8+
InChIKeyIJEJFTYXWMZLRW-CSKARUKUSA-N
XLogP0.58
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 50.58
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 2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide (CID 43567925) is 2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide is [H]/N=C1\CCCN1CC(=O)NC(C)C.
What is the InChIKey of 2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is IJEJFTYXWMZLRW-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)11-9(13)6-12-5-3-4-8(12)10/h7,10H,3-6H2,1-2H3,(H,11,13)/b10-8+.
What are the key properties of 2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide?
2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 183.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43567925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).