(2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide

C20H24INO2 — CID 118899982

IUPAC(2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide
SMILESO=C1CCC[C@]2(CC[C@H](c3ccc4c(c3)CC[C@@H](C(=O)I)C4)C2)N1
InChIInChI=1S/C20H24INO2/c21-19(24)16-6-5-13-10-15(4-3-14(13)11-16)17-7-9-20(12-17)8-1-2-18(23)22-20/h3-4,10,16-17H,1-2,5-9,11-12H2,(H,22,23)/t16-,17+,20-/m1/s1
InChIKeyLKZFVZUFCHUBFT-FUHIMQAGSA-N
MW437.32 g/mol
LogP4.06
Rot. Bonds2

About (2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide

(2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide (PubChem CID 118899982) has the molecular formula C20H24INO2 and a molecular weight of 437.32 g/mol. Its IUPAC name is (2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide.

Molecular Properties

Compound Name(2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide
PubChem CID118899982
Molecular FormulaC20H24INO2
Molecular Weight437.32 g/mol
Exact Mass437.09
IUPAC Name(2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide
SMILESO=C1CCC[C@]2(CC[C@H](c3ccc4c(c3)CC[C@@H](C(=O)I)C4)C2)N1
InChIInChI=1S/C20H24INO2/c21-19(24)16-6-5-13-10-15(4-3-14(13)11-16)17-7-9-20(12-17)8-1-2-18(23)22-20/h3-4,10,16-17H,1-2,5-9,11-12H2,(H,22,23)/t16-,17+,20-/m1/s1
InChIKeyLKZFVZUFCHUBFT-FUHIMQAGSA-N
XLogP4.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide?
The IUPAC name of (2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide (CID 118899982) is (2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide.
What is the SMILES notation for (2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide?
The canonical SMILES for (2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide is O=C1CCC[C@]2(CC[C@H](c3ccc4c(c3)CC[C@@H](C(=O)I)C4)C2)N1.
What is the InChIKey of (2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide?
The InChIKey is LKZFVZUFCHUBFT-FUHIMQAGSA-N. The full InChI is InChI=1S/C20H24INO2/c21-19(24)16-6-5-13-10-15(4-3-14(13)11-16)17-7-9-20(12-17)8-1-2-18(23)22-20/h3-4,10,16-17H,1-2,5-9,11-12H2,(H,22,23)/t16-,17+,20-/m1/s1.
What are the key properties of (2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide?
(2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide has a molecular weight of 437.32 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[(3S,5R)-7-oxo-6-azaspiro[4.5]decan-3-yl]-1,2,3,4-tetrahydronaphthalene-2-carbonyl iodide is sourced from PubChem (CID 118899982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).