3-(3-hydroxypyrrolidin-1-yl)propanimidamide

C7H15N3O — CID 62943378

IUPAC3-(3-hydroxypyrrolidin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(O)C1
InChIInChI=1S/C7H15N3O/c8-7(9)2-4-10-3-1-6(11)5-10/h6,11H,1-5H2,(H3,8,9)
InChIKeyZIJGXOQHAABKNP-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.62
Rot. Bonds3

About 3-(3-hydroxypyrrolidin-1-yl)propanimidamide

3-(3-hydroxypyrrolidin-1-yl)propanimidamide (PubChem CID 62943378) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)propanimidamide.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)propanimidamide
PubChem CID62943378
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(O)C1
InChIInChI=1S/C7H15N3O/c8-7(9)2-4-10-3-1-6(11)5-10/h6,11H,1-5H2,(H3,8,9)
InChIKeyZIJGXOQHAABKNP-UHFFFAOYSA-N
XLogP-0.62
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.62
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 3-(3-hydroxypyrrolidin-1-yl)propanimidamide?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)propanimidamide (CID 62943378) is 3-(3-hydroxypyrrolidin-1-yl)propanimidamide.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)propanimidamide?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)propanimidamide is [H]/N=C(\N)CCN1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)propanimidamide?
The InChIKey is ZIJGXOQHAABKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-7(9)2-4-10-3-1-6(11)5-10/h6,11H,1-5H2,(H3,8,9).
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)propanimidamide?
3-(3-hydroxypyrrolidin-1-yl)propanimidamide has a molecular weight of 157.22 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)propanimidamide is sourced from PubChem (CID 62943378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).