N'-(1-propanoylpyrrolidin-3-yl)methanimidamide

C8H15N3O — CID 54479349

IUPACN'-(1-propanoylpyrrolidin-3-yl)methanimidamide
SMILESCCC(=O)N1CCC(/N=C/N)C1
InChIInChI=1S/C8H15N3O/c1-2-8(12)11-4-3-7(5-11)10-6-9/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyXNWXCEKMGDLREK-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.02
Rot. Bonds2

About N'-(1-propanoylpyrrolidin-3-yl)methanimidamide

N'-(1-propanoylpyrrolidin-3-yl)methanimidamide (PubChem CID 54479349) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-(1-propanoylpyrrolidin-3-yl)methanimidamide.

Molecular Properties

Compound NameN'-(1-propanoylpyrrolidin-3-yl)methanimidamide
PubChem CID54479349
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN'-(1-propanoylpyrrolidin-3-yl)methanimidamide
SMILESCCC(=O)N1CCC(/N=C/N)C1
InChIInChI=1S/C8H15N3O/c1-2-8(12)11-4-3-7(5-11)10-6-9/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyXNWXCEKMGDLREK-UHFFFAOYSA-N
XLogP-0.02
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(1-propanoylpyrrolidin-3-yl)methanimidamide 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'-(1-propanoylpyrrolidin-3-yl)methanimidamide?
The IUPAC name of N'-(1-propanoylpyrrolidin-3-yl)methanimidamide (CID 54479349) is N'-(1-propanoylpyrrolidin-3-yl)methanimidamide.
What is the SMILES notation for N'-(1-propanoylpyrrolidin-3-yl)methanimidamide?
The canonical SMILES for N'-(1-propanoylpyrrolidin-3-yl)methanimidamide is CCC(=O)N1CCC(/N=C/N)C1.
What is the InChIKey of N'-(1-propanoylpyrrolidin-3-yl)methanimidamide?
The InChIKey is XNWXCEKMGDLREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-8(12)11-4-3-7(5-11)10-6-9/h6-7H,2-5H2,1H3,(H2,9,10).
What are the key properties of N'-(1-propanoylpyrrolidin-3-yl)methanimidamide?
N'-(1-propanoylpyrrolidin-3-yl)methanimidamide has a molecular weight of 169.23 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-propanoylpyrrolidin-3-yl)methanimidamide is sourced from PubChem (CID 54479349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).