3-hydroxypyrrolidine-1-carboximidamide

C5H11N3O — CID 18435488

IUPAC3-hydroxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(O)C1
InChIInChI=1S/C5H11N3O/c6-5(7)8-2-1-4(9)3-8/h4,9H,1-3H2,(H3,6,7)
InChIKeyFEJSLVLMPRUVNZ-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.05
Rot. Bonds

About 3-hydroxypyrrolidine-1-carboximidamide

3-hydroxypyrrolidine-1-carboximidamide (PubChem CID 18435488) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-hydroxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-hydroxypyrrolidine-1-carboximidamide
PubChem CID18435488
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name3-hydroxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(O)C1
InChIInChI=1S/C5H11N3O/c6-5(7)8-2-1-4(9)3-8/h4,9H,1-3H2,(H3,6,7)
InChIKeyFEJSLVLMPRUVNZ-UHFFFAOYSA-N
XLogP-1.05
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypyrrolidine-1-carboximidamide?
The IUPAC name of 3-hydroxypyrrolidine-1-carboximidamide (CID 18435488) is 3-hydroxypyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-hydroxypyrrolidine-1-carboximidamide?
The canonical SMILES for 3-hydroxypyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCC(O)C1.
What is the InChIKey of 3-hydroxypyrrolidine-1-carboximidamide?
The InChIKey is FEJSLVLMPRUVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c6-5(7)8-2-1-4(9)3-8/h4,9H,1-3H2,(H3,6,7).
What are the key properties of 3-hydroxypyrrolidine-1-carboximidamide?
3-hydroxypyrrolidine-1-carboximidamide has a molecular weight of 129.16 g/mol, XLogP of -1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 18435488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).