2-ethyl-2-iodobicyclo[2.2.1]heptane

C9H15I — CID 142982397

IUPAC2-ethyl-2-iodobicyclo[2.2.1]heptane
SMILESCCC1(I)CC2CCC1C2
InChIInChI=1S/C9H15I/c1-2-9(10)6-7-3-4-8(9)5-7/h7-8H,2-6H2,1H3
InChIKeyDVMLKWNBBSRHBB-UHFFFAOYSA-N
MW250.12 g/mol
LogP3.39
Rot. Bonds1

About 2-ethyl-2-iodobicyclo[2.2.1]heptane

2-ethyl-2-iodobicyclo[2.2.1]heptane (PubChem CID 142982397) has the molecular formula C9H15I and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-ethyl-2-iodobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-ethyl-2-iodobicyclo[2.2.1]heptane
PubChem CID142982397
Molecular FormulaC9H15I
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Name2-ethyl-2-iodobicyclo[2.2.1]heptane
SMILESCCC1(I)CC2CCC1C2
InChIInChI=1S/C9H15I/c1-2-9(10)6-7-3-4-8(9)5-7/h7-8H,2-6H2,1H3
InChIKeyDVMLKWNBBSRHBB-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-methyl-2-propylbicyclo[2.2.1]heptane
CID 20587119
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane
CID 59033980
methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate
CID 174441667
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
(1S,2S,4S)-2-(2-aminoethyl)bicyclo[2.2.1]heptan-2-ol
CID 124594733
[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
(2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine
CID 165495975
2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 107898475
N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine
CID 62725163
2-butan-2-yloxy-2-methylbicyclo[2.2.1]heptane
CID 89448612

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-iodobicyclo[2.2.1]heptane?
The IUPAC name of 2-ethyl-2-iodobicyclo[2.2.1]heptane (CID 142982397) is 2-ethyl-2-iodobicyclo[2.2.1]heptane.
What is the SMILES notation for 2-ethyl-2-iodobicyclo[2.2.1]heptane?
The canonical SMILES for 2-ethyl-2-iodobicyclo[2.2.1]heptane is CCC1(I)CC2CCC1C2.
What is the InChIKey of 2-ethyl-2-iodobicyclo[2.2.1]heptane?
The InChIKey is DVMLKWNBBSRHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15I/c1-2-9(10)6-7-3-4-8(9)5-7/h7-8H,2-6H2,1H3.
What are the key properties of 2-ethyl-2-iodobicyclo[2.2.1]heptane?
2-ethyl-2-iodobicyclo[2.2.1]heptane has a molecular weight of 250.12 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-iodobicyclo[2.2.1]heptane is sourced from PubChem (CID 142982397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).