1-iodo-3-methylidenecyclohexene

C7H9I — CID 21292189

IUPAC1-iodo-3-methylidenecyclohexene
SMILESC=C1C=C(I)CCC1
InChIInChI=1S/C7H9I/c1-6-3-2-4-7(8)5-6/h5H,1-4H2
InChIKeyFBGNEKZIVPYZNM-UHFFFAOYSA-N
MW220.05 g/mol
LogP3.05
Rot. Bonds

About 1-iodo-3-methylidenecyclohexene

1-iodo-3-methylidenecyclohexene (PubChem CID 21292189) has the molecular formula C7H9I and a molecular weight of 220.05 g/mol. Its IUPAC name is 1-iodo-3-methylidenecyclohexene.

Molecular Properties

Compound Name1-iodo-3-methylidenecyclohexene
PubChem CID21292189
Molecular FormulaC7H9I
Molecular Weight220.05 g/mol
Exact Mass219.97
IUPAC Name1-iodo-3-methylidenecyclohexene
SMILESC=C1C=C(I)CCC1
InChIInChI=1S/C7H9I/c1-6-3-2-4-7(8)5-6/h5H,1-4H2
InChIKeyFBGNEKZIVPYZNM-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methylidenecyclohexene?
The IUPAC name of 1-iodo-3-methylidenecyclohexene (CID 21292189) is 1-iodo-3-methylidenecyclohexene.
What is the SMILES notation for 1-iodo-3-methylidenecyclohexene?
The canonical SMILES for 1-iodo-3-methylidenecyclohexene is C=C1C=C(I)CCC1.
What is the InChIKey of 1-iodo-3-methylidenecyclohexene?
The InChIKey is FBGNEKZIVPYZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9I/c1-6-3-2-4-7(8)5-6/h5H,1-4H2.
What are the key properties of 1-iodo-3-methylidenecyclohexene?
1-iodo-3-methylidenecyclohexene has a molecular weight of 220.05 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methylidenecyclohexene is sourced from PubChem (CID 21292189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).