N'-hydroxypyrrolidine-2-carboximidamide

C5H11N3O — CID 64981050

IUPACN'-hydroxypyrrolidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCN1
InChIInChI=1S/C5H11N3O/c6-5(8-9)4-2-1-3-7-4/h4,7,9H,1-3H2,(H2,6,8)
InChIKeySABJGCGIWLJJOL-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.52
Rot. Bonds1

About N'-hydroxypyrrolidine-2-carboximidamide

N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 64981050) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxypyrrolidine-2-carboximidamide
PubChem CID64981050
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC NameN'-hydroxypyrrolidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCN1
InChIInChI=1S/C5H11N3O/c6-5(8-9)4-2-1-3-7-4/h4,7,9H,1-3H2,(H2,6,8)
InChIKeySABJGCGIWLJJOL-UHFFFAOYSA-N
XLogP-0.52
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxypyrrolidine-2-carboximidamide 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'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxypyrrolidine-2-carboximidamide (CID 64981050) is N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxypyrrolidine-2-carboximidamide is N/C(=N/O)C1CCCN1.
What is the InChIKey of N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is SABJGCGIWLJJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c6-5(8-9)4-2-1-3-7-4/h4,7,9H,1-3H2,(H2,6,8).
What are the key properties of N'-hydroxypyrrolidine-2-carboximidamide?
N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 129.16 g/mol, XLogP of -0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 64981050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).