CID 163803280

C9H14IO2- — CID 163803280

IUPAC—
SMILESC1CC2CC1CC21CO[I-]OC1
InChIInChI=1S/C9H14IO2/c1-2-8-3-7(1)4-9(8)5-11-10-12-6-9/h7-8H,1-6H2/q-1
InChIKeyOBLXYSAUDZUUPT-UHFFFAOYSA-N
MW281.11 g/mol
LogP-1.24
Rot. Bonds

About CID 163803280

CID 163803280 (PubChem CID 163803280) has the molecular formula C9H14IO2- and a molecular weight of 281.11 g/mol.

Molecular Properties

Compound NameCID 163803280
PubChem CID163803280
Molecular FormulaC9H14IO2-
Molecular Weight281.11 g/mol
Exact Mass281.00
IUPAC Name—
SMILESC1CC2CC1CC21CO[I-]OC1
InChIInChI=1S/C9H14IO2/c1-2-8-3-7(1)4-9(8)5-11-10-12-6-9/h7-8H,1-6H2/q-1
InChIKeyOBLXYSAUDZUUPT-UHFFFAOYSA-N
XLogP-1.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
CID 22273219
spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
CID 86249645
spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid
CID 70434375
2,2-dihydroperoxybicyclo[2.2.1]heptane
CID 134965328
2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol
CID 156535894
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
tricyclo[3.1.1.01,3]heptane
CID 91477743
(1S,4R)-spiro[bicyclo[2.2.1]heptane-2,3'-oxetane]-2',4'-dione
CID 54178229
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638
(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 178190368
spiro[bicyclo[2.2.1]heptane-2,2'-oxolane]
CID 165155234

Frequently Asked Questions

What is the IUPAC name of CID 163803280?
The IUPAC name of CID 163803280 (CID 163803280) is not available.
What is the SMILES notation for CID 163803280?
The canonical SMILES for CID 163803280 is C1CC2CC1CC21CO[I-]OC1.
What is the InChIKey of CID 163803280?
The InChIKey is OBLXYSAUDZUUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IO2/c1-2-8-3-7(1)4-9(8)5-11-10-12-6-9/h7-8H,1-6H2/q-1.
What are the key properties of CID 163803280?
CID 163803280 has a molecular weight of 281.11 g/mol, XLogP of -1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163803280 is sourced from PubChem (CID 163803280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).