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

C10H19N3O — CID 61480079

IUPAC2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide
SMILES[H]/N=C1\CCCN1C(C)C(=O)NCCC
InChIInChI=1S/C10H19N3O/c1-3-6-12-10(14)8(2)13-7-4-5-9(13)11/h8,11H,3-7H2,1-2H3,(H,12,14)/b11-9+
InChIKeyBKZJOSYFMBMHPH-PKNBQFBNSA-N
MW197.28 g/mol
LogP0.97
Rot. Bonds4

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

2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide (PubChem CID 61480079) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide
PubChem CID61480079
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide
SMILES[H]/N=C1\CCCN1C(C)C(=O)NCCC
InChIInChI=1S/C10H19N3O/c1-3-6-12-10(14)8(2)13-7-4-5-9(13)11/h8,11H,3-7H2,1-2H3,(H,12,14)/b11-9+
InChIKeyBKZJOSYFMBMHPH-PKNBQFBNSA-N
XLogP0.97
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.97
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-propylpropanamide?
The IUPAC name of 2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide (CID 61480079) is 2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide is [H]/N=C1\CCCN1C(C)C(=O)NCCC.
What is the InChIKey of 2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide?
The InChIKey is BKZJOSYFMBMHPH-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-6-12-10(14)8(2)13-7-4-5-9(13)11/h8,11H,3-7H2,1-2H3,(H,12,14)/b11-9+.
What are the key properties of 2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide?
2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide has a molecular weight of 197.28 g/mol, XLogP of 0.97, 4 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-propylpropanamide is sourced from PubChem (CID 61480079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).