N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide

C8H15N3O — CID 163888487

IUPACN'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide
SMILESC=C/N=C(\N)N1CCCC1CO
InChIInChI=1S/C8H15N3O/c1-2-10-8(9)11-5-3-4-7(11)6-12/h2,7,12H,1,3-6H2,(H2,9,10)
InChIKeyPZMPFGJNSUZJTD-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.10
Rot. Bonds2

About N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide

N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 163888487) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide
PubChem CID163888487
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide
SMILESC=C/N=C(\N)N1CCCC1CO
InChIInChI=1S/C8H15N3O/c1-2-10-8(9)11-5-3-4-7(11)6-12/h2,7,12H,1,3-6H2,(H2,9,10)
InChIKeyPZMPFGJNSUZJTD-UHFFFAOYSA-N
XLogP-0.10
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
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'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 142498457
[amino-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methylidene]-dimethylazanium iodide
CID 133633620
[amino-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methylidene]-dimethylazanium
CID 133633621

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide (CID 163888487) is N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide is C=C/N=C(\N)N1CCCC1CO.
What is the InChIKey of N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is PZMPFGJNSUZJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-10-8(9)11-5-3-4-7(11)6-12/h2,7,12H,1,3-6H2,(H2,9,10).
What are the key properties of N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide?
N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 169.23 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 163888487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).