(3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide

C5H9IN2O — CID 129049454

IUPAC(3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide
SMILES[H]/N=C(\I)N1CC[C@@H](O)C1
InChIInChI=1S/C5H9IN2O/c6-5(7)8-2-1-4(9)3-8/h4,7,9H,1-3H2/b7-5+/t4-/m1/s1
InChIKeyVNTMCQHMWADJGI-HACVPMJSSA-N
MW240.04 g/mol
LogP0.42
Rot. Bonds

About (3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide

(3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide (PubChem CID 129049454) has the molecular formula C5H9IN2O and a molecular weight of 240.04 g/mol. Its IUPAC name is (3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide.

Molecular Properties

Compound Name(3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide
PubChem CID129049454
Molecular FormulaC5H9IN2O
Molecular Weight240.04 g/mol
Exact Mass239.98
IUPAC Name(3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide
SMILES[H]/N=C(\I)N1CC[C@@H](O)C1
InChIInChI=1S/C5H9IN2O/c6-5(7)8-2-1-4(9)3-8/h4,7,9H,1-3H2/b7-5+/t4-/m1/s1
InChIKeyVNTMCQHMWADJGI-HACVPMJSSA-N
XLogP0.42
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Ethanimidoylpyrrolidin-3-ol
CID 17919898
3-Hydroxypyrrolidine-1-carboximidamide
CID 18435488
(R)-1-(1-Iminoethyl)pyrrolidin-3-ol
CID 71355673
1-(2-Iminoethanimidoyl)pyrrolidin-3-ol
CID 170743564
3-Hydroxypyrrolidin-1-ium-1-carboximidamide
CID 173337100
(3R)-3-hydroxypyrrolidine-1-carboximidamide
CID 86341400
(3S)-3-hydroxypyrrolidine-1-carboximidamide
CID 86341401

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide?
The IUPAC name of (3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide (CID 129049454) is (3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide.
What is the SMILES notation for (3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide?
The canonical SMILES for (3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide is [H]/N=C(\I)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide?
The InChIKey is VNTMCQHMWADJGI-HACVPMJSSA-N. The full InChI is InChI=1S/C5H9IN2O/c6-5(7)8-2-1-4(9)3-8/h4,7,9H,1-3H2/b7-5+/t4-/m1/s1.
What are the key properties of (3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide?
(3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide has a molecular weight of 240.04 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide is sourced from PubChem (CID 129049454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).