3-hydroxypyrrolidin-1-ium-1-carboximidamide

C5H12N3O+ — CID 173337100

IUPAC3-hydroxypyrrolidin-1-ium-1-carboximidamide
SMILES[H]/N=C(\N)[NH+]1CCC(O)C1
InChIInChI=1S/C5H11N3O/c6-5(7)8-2-1-4(9)3-8/h4,9H,1-3H2,(H3,6,7)/p+1
InChIKeyFEJSLVLMPRUVNZ-UHFFFAOYSA-O
MW130.17 g/mol
LogP-2.47
Rot. Bonds

About 3-hydroxypyrrolidin-1-ium-1-carboximidamide

3-hydroxypyrrolidin-1-ium-1-carboximidamide (PubChem CID 173337100) has the molecular formula C5H12N3O+ and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-hydroxypyrrolidin-1-ium-1-carboximidamide.

Molecular Properties

Compound Name3-hydroxypyrrolidin-1-ium-1-carboximidamide
PubChem CID173337100
Molecular FormulaC5H12N3O+
Molecular Weight130.17 g/mol
Exact Mass130.10
IUPAC Name3-hydroxypyrrolidin-1-ium-1-carboximidamide
SMILES[H]/N=C(\N)[NH+]1CCC(O)C1
InChIInChI=1S/C5H11N3O/c6-5(7)8-2-1-4(9)3-8/h4,9H,1-3H2,(H3,6,7)/p+1
InChIKeyFEJSLVLMPRUVNZ-UHFFFAOYSA-O
XLogP-2.47
TPSA74.54 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-2.47
H-Bond Donors ≤ 54
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-hydroxypyrrolidin-1-ium-1-carboximidamide?
The IUPAC name of 3-hydroxypyrrolidin-1-ium-1-carboximidamide (CID 173337100) is 3-hydroxypyrrolidin-1-ium-1-carboximidamide.
What is the SMILES notation for 3-hydroxypyrrolidin-1-ium-1-carboximidamide?
The canonical SMILES for 3-hydroxypyrrolidin-1-ium-1-carboximidamide is [H]/N=C(\N)[NH+]1CCC(O)C1.
What is the InChIKey of 3-hydroxypyrrolidin-1-ium-1-carboximidamide?
The InChIKey is FEJSLVLMPRUVNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N3O/c6-5(7)8-2-1-4(9)3-8/h4,9H,1-3H2,(H3,6,7)/p+1.
What are the key properties of 3-hydroxypyrrolidin-1-ium-1-carboximidamide?
3-hydroxypyrrolidin-1-ium-1-carboximidamide has a molecular weight of 130.17 g/mol, XLogP of -2.47, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypyrrolidin-1-ium-1-carboximidamide is sourced from PubChem (CID 173337100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).