2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane]

C11H18INO — CID 165483064

IUPAC2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane]
SMILESICC1OCCC12CC1CCC(C2)N1
InChIInChI=1S/C11H18INO/c12-7-10-11(3-4-14-10)5-8-1-2-9(6-11)13-8/h8-10,13H,1-7H2
InChIKeyICGVHIKZQZPRDF-UHFFFAOYSA-N
MW307.18 g/mol
LogP2.11
Rot. Bonds1

About 2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane]

2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane] (PubChem CID 165483064) has the molecular formula C11H18INO and a molecular weight of 307.18 g/mol. Its IUPAC name is 2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane].

Molecular Properties

Compound Name2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane]
PubChem CID165483064
Molecular FormulaC11H18INO
Molecular Weight307.18 g/mol
Exact Mass307.04
IUPAC Name2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane]
SMILESICC1OCCC12CC1CCC(C2)N1
InChIInChI=1S/C11H18INO/c12-7-10-11(3-4-14-10)5-8-1-2-9(6-11)13-8/h8-10,13H,1-7H2
InChIKeyICGVHIKZQZPRDF-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
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

3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171958451
spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane]
CID 134691809
3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68756269
3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane
CID 112564611
1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]
CID 126845573
4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane
CID 79321378
(1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one
CID 129499691
3-ethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45083126
3-but-3-ynyl-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564701
3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564535
3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564625
2-oxaspiro[4.5]decan-1-ylmethyl acetate
CID 102349423

Frequently Asked Questions

What is the IUPAC name of 2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane]?
The IUPAC name of 2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane] (CID 165483064) is 2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane].
What is the SMILES notation for 2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane]?
The canonical SMILES for 2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane] is ICC1OCCC12CC1CCC(C2)N1.
What is the InChIKey of 2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane]?
The InChIKey is ICGVHIKZQZPRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18INO/c12-7-10-11(3-4-14-10)5-8-1-2-9(6-11)13-8/h8-10,13H,1-7H2.
What are the key properties of 2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane]?
2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane] has a molecular weight of 307.18 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(iodomethyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-oxolane] is sourced from PubChem (CID 165483064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).