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

C9H17N3O — CID 61480036

IUPACN-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide
SMILES[H]/N=C1\CCCN1C(C)C(=O)NCC
InChIInChI=1S/C9H17N3O/c1-3-11-9(13)7(2)12-6-4-5-8(12)10/h7,10H,3-6H2,1-2H3,(H,11,13)/b10-8+
InChIKeyHZTBNUZCSGJRIJ-CSKARUKUSA-N
MW183.25 g/mol
LogP0.58
Rot. Bonds3

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

N-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide (PubChem CID 61480036) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide
PubChem CID61480036
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide
SMILES[H]/N=C1\CCCN1C(C)C(=O)NCC
InChIInChI=1S/C9H17N3O/c1-3-11-9(13)7(2)12-6-4-5-8(12)10/h7,10H,3-6H2,1-2H3,(H,11,13)/b10-8+
InChIKeyHZTBNUZCSGJRIJ-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 ≤ 500183.25
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 N-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide?
The IUPAC name of N-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide (CID 61480036) is N-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide is [H]/N=C1\CCCN1C(C)C(=O)NCC.
What is the InChIKey of N-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide?
The InChIKey is HZTBNUZCSGJRIJ-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-11-9(13)7(2)12-6-4-5-8(12)10/h7,10H,3-6H2,1-2H3,(H,11,13)/b10-8+.
What are the key properties of N-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide?
N-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide has a molecular weight of 183.25 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 N-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 61480036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).