2-(hydroxymethyl)pyrrolidine-1-carboximidamide

C6H13N3O — CID 18435489

IUPAC2-(hydroxymethyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1CO
InChIInChI=1S/C6H13N3O/c7-6(8)9-3-1-2-5(9)4-10/h5,10H,1-4H2,(H3,7,8)
InChIKeyXKLXMNIZSMOGEF-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.66
Rot. Bonds1

About 2-(hydroxymethyl)pyrrolidine-1-carboximidamide

2-(hydroxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 18435489) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-(hydroxymethyl)pyrrolidine-1-carboximidamide
PubChem CID18435489
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2-(hydroxymethyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1CO
InChIInChI=1S/C6H13N3O/c7-6(8)9-3-1-2-5(9)4-10/h5,10H,1-4H2,(H3,7,8)
InChIKeyXKLXMNIZSMOGEF-UHFFFAOYSA-N
XLogP-0.66
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.66
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 2-(hydroxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of 2-(hydroxymethyl)pyrrolidine-1-carboximidamide (CID 18435489) is 2-(hydroxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-(hydroxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 2-(hydroxymethyl)pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is XKLXMNIZSMOGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-6(8)9-3-1-2-5(9)4-10/h5,10H,1-4H2,(H3,7,8).
What are the key properties of 2-(hydroxymethyl)pyrrolidine-1-carboximidamide?
2-(hydroxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 143.19 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 18435489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).