1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene

C11H11I — CID 19868778

IUPAC1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene
SMILESIC(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C11H11I/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h1-5,7,11H,6,8H2
InChIKeyHMVQBQWTURWMBL-UHFFFAOYSA-N
MW270.11 g/mol
LogP3.56
Rot. Bonds2

About 1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene

1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene (PubChem CID 19868778) has the molecular formula C11H11I and a molecular weight of 270.11 g/mol. Its IUPAC name is 1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene
PubChem CID19868778
Molecular FormulaC11H11I
Molecular Weight270.11 g/mol
Exact Mass269.99
IUPAC Name1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene
SMILESIC(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C11H11I/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h1-5,7,11H,6,8H2
InChIKeyHMVQBQWTURWMBL-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene?
The IUPAC name of 1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene (CID 19868778) is 1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene?
The canonical SMILES for 1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene is IC(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of 1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene?
The InChIKey is HMVQBQWTURWMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11I/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h1-5,7,11H,6,8H2.
What are the key properties of 1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene?
1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene has a molecular weight of 270.11 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopenta-1,3-dien-1-yl(iodo)methyl]cyclopenta-1,3-diene is sourced from PubChem (CID 19868778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).