1-(iodomethyl)bicyclo[3.1.0]hexane

C7H11I — CID 147683583

IUPAC1-(iodomethyl)bicyclo[3.1.0]hexane
SMILESICC12CCCC1C2
InChIInChI=1S/C7H11I/c8-5-7-3-1-2-6(7)4-7/h6H,1-5H2
InChIKeyGXWOQCCDDJKEKV-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.61
Rot. Bonds1

About 1-(iodomethyl)bicyclo[3.1.0]hexane

1-(iodomethyl)bicyclo[3.1.0]hexane (PubChem CID 147683583) has the molecular formula C7H11I and a molecular weight of 222.07 g/mol. Its IUPAC name is 1-(iodomethyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(iodomethyl)bicyclo[3.1.0]hexane
PubChem CID147683583
Molecular FormulaC7H11I
Molecular Weight222.07 g/mol
Exact Mass221.99
IUPAC Name1-(iodomethyl)bicyclo[3.1.0]hexane
SMILESICC12CCCC1C2
InChIInChI=1S/C7H11I/c8-5-7-3-1-2-6(7)4-7/h6H,1-5H2
InChIKeyGXWOQCCDDJKEKV-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.61
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'}

Analyze 1-(iodomethyl)bicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-bicyclo[3.1.0]hexanyl)ethanamine
CID 21391834
3-(1-bicyclo[3.1.0]hexanyl)propan-1-amine
CID 21392679
3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol
CID 90022517
(3aS,6aS)-6a-(hydroxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol
CID 131201463
15-(1-cycloundecylcyclohexadecyl)-20-(iodomethyl)tricyclo[13.5.1.116,20]docosan-16-amine
CID 166996193
1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane
CID 140989722
1-(cyclobutylmethyl)bicyclo[3.2.0]heptane
CID 163703083
2-[(3aS,7aR)-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethane-1,1-diol
CID 59877546
O-(1-bicyclo[4.1.0]heptanylmethyl) methylsulfanylmethanethioate
CID 11096035
3-[(1S,6S)-1-bicyclo[4.1.0]heptanyl]propyl methanesulfonate
CID 11806545
[1-(chloromethyl)cyclobutyl]cycloheptane
CID 82946357
1-bicyclo[3.1.0]hexanyl(trimethyl)silane
CID 122403764

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)bicyclo[3.1.0]hexane?
The IUPAC name of 1-(iodomethyl)bicyclo[3.1.0]hexane (CID 147683583) is 1-(iodomethyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(iodomethyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 1-(iodomethyl)bicyclo[3.1.0]hexane is ICC12CCCC1C2.
What is the InChIKey of 1-(iodomethyl)bicyclo[3.1.0]hexane?
The InChIKey is GXWOQCCDDJKEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11I/c8-5-7-3-1-2-6(7)4-7/h6H,1-5H2.
What are the key properties of 1-(iodomethyl)bicyclo[3.1.0]hexane?
1-(iodomethyl)bicyclo[3.1.0]hexane has a molecular weight of 222.07 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 147683583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).