N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide

C12H23N3O — CID 146238642

IUPACN'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide
SMILESC/C(N)=N\CCCC(C)C(=O)N1CCCC1
InChIInChI=1S/C12H23N3O/c1-10(6-5-7-14-11(2)13)12(16)15-8-3-4-9-15/h10H,3-9H2,1-2H3,(H2,13,14)
InChIKeyGYUWFGZXLFLUAU-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.40
Rot. Bonds5

About N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide

N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide (PubChem CID 146238642) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide
PubChem CID146238642
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide
SMILESC/C(N)=N\CCCC(C)C(=O)N1CCCC1
InChIInChI=1S/C12H23N3O/c1-10(6-5-7-14-11(2)13)12(16)15-8-3-4-9-15/h10H,3-9H2,1-2H3,(H2,13,14)
InChIKeyGYUWFGZXLFLUAU-UHFFFAOYSA-N
XLogP1.40
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide?
The IUPAC name of N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide (CID 146238642) is N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide.
What is the SMILES notation for N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide?
The canonical SMILES for N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide is C/C(N)=N\CCCC(C)C(=O)N1CCCC1.
What is the InChIKey of N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide?
The InChIKey is GYUWFGZXLFLUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(6-5-7-14-11(2)13)12(16)15-8-3-4-9-15/h10H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide?
N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide has a molecular weight of 225.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide is sourced from PubChem (CID 146238642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).