3-(hydroxymethyl)pyrrolidine-1-carboximidamide

C6H13N3O — CID 121201281

IUPAC3-(hydroxymethyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CO)C1
InChIInChI=1S/C6H13N3O/c7-6(8)9-2-1-5(3-9)4-10/h5,10H,1-4H2,(H3,7,8)
InChIKeyLBDBJPMCVUQPED-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.81
Rot. Bonds1

About 3-(hydroxymethyl)pyrrolidine-1-carboximidamide

3-(hydroxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 121201281) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(hydroxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(hydroxymethyl)pyrrolidine-1-carboximidamide
PubChem CID121201281
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-(hydroxymethyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CO)C1
InChIInChI=1S/C6H13N3O/c7-6(8)9-2-1-5(3-9)4-10/h5,10H,1-4H2,(H3,7,8)
InChIKeyLBDBJPMCVUQPED-UHFFFAOYSA-N
XLogP-0.81
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 ≤ 5-0.81
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-(hydroxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(hydroxymethyl)pyrrolidine-1-carboximidamide (CID 121201281) is 3-(hydroxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(hydroxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(hydroxymethyl)pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is LBDBJPMCVUQPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-6(8)9-2-1-5(3-9)4-10/h5,10H,1-4H2,(H3,7,8).
What are the key properties of 3-(hydroxymethyl)pyrrolidine-1-carboximidamide?
3-(hydroxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 143.19 g/mol, XLogP of -0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 121201281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).