2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide

C8H15N3O — CID 61464900

IUPAC2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide
SMILES[H]/N=C1\CCCN1C(C)C(=O)NC
InChIInChI=1S/C8H15N3O/c1-6(8(12)10-2)11-5-3-4-7(11)9/h6,9H,3-5H2,1-2H3,(H,10,12)/b9-7+
InChIKeyQKWHIYPCJKQPIO-VQHVLOKHSA-N
MW169.23 g/mol
LogP0.19
Rot. Bonds2

About 2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide

2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide (PubChem CID 61464900) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide
PubChem CID61464900
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide
SMILES[H]/N=C1\CCCN1C(C)C(=O)NC
InChIInChI=1S/C8H15N3O/c1-6(8(12)10-2)11-5-3-4-7(11)9/h6,9H,3-5H2,1-2H3,(H,10,12)/b9-7+
InChIKeyQKWHIYPCJKQPIO-VQHVLOKHSA-N
XLogP0.19
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.19
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-methylpropanamide?
The IUPAC name of 2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide (CID 61464900) is 2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide is [H]/N=C1\CCCN1C(C)C(=O)NC.
What is the InChIKey of 2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide?
The InChIKey is QKWHIYPCJKQPIO-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(8(12)10-2)11-5-3-4-7(11)9/h6,9H,3-5H2,1-2H3,(H,10,12)/b9-7+.
What are the key properties of 2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide?
2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide has a molecular weight of 169.23 g/mol, XLogP of 0.19, 2 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-methylpropanamide is sourced from PubChem (CID 61464900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).