1-iodo-3-methylcyclopenta-1,3-diene

C6H7I — CID 145094237

IUPAC1-iodo-3-methylcyclopenta-1,3-diene
SMILESCC1=CCC(I)=C1
InChIInChI=1S/C6H7I/c1-5-2-3-6(7)4-5/h2,4H,3H2,1H3
InChIKeyMBTNVUKAKGLBLF-UHFFFAOYSA-N
MW206.03 g/mol
LogP2.66
Rot. Bonds

About 1-iodo-3-methylcyclopenta-1,3-diene

1-iodo-3-methylcyclopenta-1,3-diene (PubChem CID 145094237) has the molecular formula C6H7I and a molecular weight of 206.03 g/mol. Its IUPAC name is 1-iodo-3-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-iodo-3-methylcyclopenta-1,3-diene
PubChem CID145094237
Molecular FormulaC6H7I
Molecular Weight206.03 g/mol
Exact Mass205.96
IUPAC Name1-iodo-3-methylcyclopenta-1,3-diene
SMILESCC1=CCC(I)=C1
InChIInChI=1S/C6H7I/c1-5-2-3-6(7)4-5/h2,4H,3H2,1H3
InChIKeyMBTNVUKAKGLBLF-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethylcyclopenta-1,3-diene;zirconium
CID 73422733
sodium;hydride;(3-methylcyclopenta-1,3-dien-1-yl)silane
CID 173341629
2-bromo-1,3,5-trimethylcyclohepta-1,3,5-triene
CID 142255845
1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride
CID 159649254
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol
CID 143259643
3,6-dimethylcyclohepta-1,3,6-triene-1-carbaldehyde
CID 144708324
CID 143979897
CID 143979897
3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene
CID 20827784
1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol
CID 68553110
5-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene
CID 91545932
5-methylcyclohepta-1,3,5-triene-1,3-dicarboxylic acid
CID 143586482

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methylcyclopenta-1,3-diene?
The IUPAC name of 1-iodo-3-methylcyclopenta-1,3-diene (CID 145094237) is 1-iodo-3-methylcyclopenta-1,3-diene.
What is the SMILES notation for 1-iodo-3-methylcyclopenta-1,3-diene?
The canonical SMILES for 1-iodo-3-methylcyclopenta-1,3-diene is CC1=CCC(I)=C1.
What is the InChIKey of 1-iodo-3-methylcyclopenta-1,3-diene?
The InChIKey is MBTNVUKAKGLBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7I/c1-5-2-3-6(7)4-5/h2,4H,3H2,1H3.
What are the key properties of 1-iodo-3-methylcyclopenta-1,3-diene?
1-iodo-3-methylcyclopenta-1,3-diene has a molecular weight of 206.03 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methylcyclopenta-1,3-diene is sourced from PubChem (CID 145094237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).