(3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide

C7H10INO — CID 149307093

IUPAC(3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide
SMILESNC(=O)C12CC(C1)[C@H](I)C2
InChIInChI=1S/C7H10INO/c8-5-3-7(6(9)10)1-4(5)2-7/h4-5H,1-3H2,(H2,9,10)/t4?,5-,7?/m1/s1
InChIKeyXXWQVKUQILOIHG-KPPVHYKDSA-N
MW251.07 g/mol
LogP1.08
Rot. Bonds1

About (3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide

(3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide (PubChem CID 149307093) has the molecular formula C7H10INO and a molecular weight of 251.07 g/mol. Its IUPAC name is (3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide
PubChem CID149307093
Molecular FormulaC7H10INO
Molecular Weight251.07 g/mol
Exact Mass250.98
IUPAC Name(3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide
SMILESNC(=O)C12CC(C1)[C@H](I)C2
InChIInChI=1S/C7H10INO/c8-5-3-7(6(9)10)1-4(5)2-7/h4-5H,1-3H2,(H2,9,10)/t4?,5-,7?/m1/s1
InChIKeyXXWQVKUQILOIHG-KPPVHYKDSA-N
XLogP1.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide?
The IUPAC name of (3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide (CID 149307093) is (3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide.
What is the SMILES notation for (3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide?
The canonical SMILES for (3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide is NC(=O)C12CC(C1)[C@H](I)C2.
What is the InChIKey of (3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide?
The InChIKey is XXWQVKUQILOIHG-KPPVHYKDSA-N. The full InChI is InChI=1S/C7H10INO/c8-5-3-7(6(9)10)1-4(5)2-7/h4-5H,1-3H2,(H2,9,10)/t4?,5-,7?/m1/s1.
What are the key properties of (3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide?
(3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide has a molecular weight of 251.07 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-iodobicyclo[2.1.1]hexane-1-carboxamide is sourced from PubChem (CID 149307093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).