(3R)-1-iodopyrrolidine-3-carboxamide

C5H9IN2O — CID 144745483

IUPAC(3R)-1-iodopyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(I)C1
InChIInChI=1S/C5H9IN2O/c6-8-2-1-4(3-8)5(7)9/h4H,1-3H2,(H2,7,9)/t4-/m1/s1
InChIKeyQIWMWURXGPOVCF-SCSAIBSYSA-N
MW240.04 g/mol
LogP0.14
Rot. Bonds1

About (3R)-1-iodopyrrolidine-3-carboxamide

(3R)-1-iodopyrrolidine-3-carboxamide (PubChem CID 144745483) has the molecular formula C5H9IN2O and a molecular weight of 240.04 g/mol. Its IUPAC name is (3R)-1-iodopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-iodopyrrolidine-3-carboxamide
PubChem CID144745483
Molecular FormulaC5H9IN2O
Molecular Weight240.04 g/mol
Exact Mass239.98
IUPAC Name(3R)-1-iodopyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(I)C1
InChIInChI=1S/C5H9IN2O/c6-8-2-1-4(3-8)5(7)9/h4H,1-3H2,(H2,7,9)/t4-/m1/s1
InChIKeyQIWMWURXGPOVCF-SCSAIBSYSA-N
XLogP0.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-tert-butylpyrrolidine-3-carboxamide
CID 59439118
1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
CID 67294203
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
ethane;1-methylsulfinylpyrrolidine-3-carboxamide
CID 168939869
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 103637569
1-tert-butylpiperidine-3-carboxamide
CID 59656300
1-prop-2-ynylpyrrolidine-3-carboxamide
CID 87958018
1-methanidylpiperidine-3-carboxamide
CID 23545608
CID 88930738
CID 88930738
(3S)-1-piperidin-4-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 162316129
4-iodopiperazine-2-carboxamide
CID 167254743

Frequently Asked Questions

What is the IUPAC name of (3R)-1-iodopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-iodopyrrolidine-3-carboxamide (CID 144745483) is (3R)-1-iodopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-iodopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-iodopyrrolidine-3-carboxamide is NC(=O)[C@@H]1CCN(I)C1.
What is the InChIKey of (3R)-1-iodopyrrolidine-3-carboxamide?
The InChIKey is QIWMWURXGPOVCF-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9IN2O/c6-8-2-1-4(3-8)5(7)9/h4H,1-3H2,(H2,7,9)/t4-/m1/s1.
What are the key properties of (3R)-1-iodopyrrolidine-3-carboxamide?
(3R)-1-iodopyrrolidine-3-carboxamide has a molecular weight of 240.04 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-iodopyrrolidine-3-carboxamide is sourced from PubChem (CID 144745483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).