5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one

C10H13IO2 — CID 146617215

IUPAC5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
SMILESO=C1CC2(CO1)CC1CC2CC1I
InChIInChI=1S/C10H13IO2/c11-8-2-7-1-6(8)3-10(7)4-9(12)13-5-10/h6-8H,1-5H2
InChIKeyIVPADNPZBWIKEI-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.15
Rot. Bonds

About 5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one

5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one (PubChem CID 146617215) has the molecular formula C10H13IO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one.

Molecular Properties

Compound Name5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
PubChem CID146617215
Molecular FormulaC10H13IO2
Molecular Weight292.12 g/mol
Exact Mass292.00
IUPAC Name5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
SMILESO=C1CC2(CO1)CC1CC2CC1I
InChIInChI=1S/C10H13IO2/c11-8-2-7-1-6(8)3-10(7)4-9(12)13-5-10/h6-8H,1-5H2
InChIKeyIVPADNPZBWIKEI-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) prop-2-enoate
CID 22709217
(5S)-5-methyl-5-sulfanylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 163654734
CID 163530000
CID 163530000
(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate
CID 147617954
(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283125
(6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 59229021
9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
CID 138520001
(1'S,4'S)-5'-iodospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 166052318
5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-dioxane]-3'-one
CID 89006311
(7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one
CID 141026930
6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione
CID 73015641
(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2-yl) 2,2-dimethylbutanoate
CID 158840442

Frequently Asked Questions

What is the IUPAC name of 5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The IUPAC name of 5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one (CID 146617215) is 5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one.
What is the SMILES notation for 5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The canonical SMILES for 5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one is O=C1CC2(CO1)CC1CC2CC1I.
What is the InChIKey of 5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The InChIKey is IVPADNPZBWIKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO2/c11-8-2-7-1-6(8)3-10(7)4-9(12)13-5-10/h6-8H,1-5H2.
What are the key properties of 5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one has a molecular weight of 292.12 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one is sourced from PubChem (CID 146617215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).