2-(3-hydroxypyrrolidin-1-yl)ethanimidamide

C6H13N3O — CID 62943188

IUPAC2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(O)C1
InChIInChI=1S/C6H13N3O/c7-6(8)4-9-2-1-5(10)3-9/h5,10H,1-4H2,(H3,7,8)
InChIKeyZXFFJLCBSUXAIR-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.01
Rot. Bonds2

About 2-(3-hydroxypyrrolidin-1-yl)ethanimidamide

2-(3-hydroxypyrrolidin-1-yl)ethanimidamide (PubChem CID 62943188) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
PubChem CID62943188
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(O)C1
InChIInChI=1S/C6H13N3O/c7-6(8)4-9-2-1-5(10)3-9/h5,10H,1-4H2,(H3,7,8)
InChIKeyZXFFJLCBSUXAIR-UHFFFAOYSA-N
XLogP-1.01
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3-hydroxypyrrolidin-1-yl)ethanimidamide?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)ethanimidamide (CID 62943188) is 2-(3-hydroxypyrrolidin-1-yl)ethanimidamide.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)ethanimidamide?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)ethanimidamide is [H]/N=C(\N)CN1CCC(O)C1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)ethanimidamide?
The InChIKey is ZXFFJLCBSUXAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-6(8)4-9-2-1-5(10)3-9/h5,10H,1-4H2,(H3,7,8).
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)ethanimidamide?
2-(3-hydroxypyrrolidin-1-yl)ethanimidamide has a molecular weight of 143.19 g/mol, XLogP of -1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)ethanimidamide is sourced from PubChem (CID 62943188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).