1-iodyl-5-methylidenecyclopenta-1,3-diene

C6H5IO2 — CID 140968042

IUPAC1-iodyl-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C=CC=C1I(=O)=O
InChIInChI=1S/C6H5IO2/c1-5-3-2-4-6(5)7(8)9/h2-4H,1H2
InChIKeyWAICDEBOQXTMGR-UHFFFAOYSA-N
MW236.01 g/mol
LogP2.19
Rot. Bonds1

About 1-iodyl-5-methylidenecyclopenta-1,3-diene

1-iodyl-5-methylidenecyclopenta-1,3-diene (PubChem CID 140968042) has the molecular formula C6H5IO2 and a molecular weight of 236.01 g/mol. Its IUPAC name is 1-iodyl-5-methylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name1-iodyl-5-methylidenecyclopenta-1,3-diene
PubChem CID140968042
Molecular FormulaC6H5IO2
Molecular Weight236.01 g/mol
Exact Mass235.93
IUPAC Name1-iodyl-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C=CC=C1I(=O)=O
InChIInChI=1S/C6H5IO2/c1-5-3-2-4-6(5)7(8)9/h2-4H,1H2
InChIKeyWAICDEBOQXTMGR-UHFFFAOYSA-N
XLogP2.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.01
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cycloprop-2-en-1-ylidenecyclopropen-1-yl)-5-methylidenecyclopenta-1,3-diene
CID 101113011
(1E,3Z,5E,7Z,9Z)-4-methyl-11-methylidenecycloundeca-1,3,5,7,9-pentaen-1-amine
CID 163497639
6-methylidenecyclohexa-2,4-diene-1-selone
CID 14249672
4-methylidene-1H-azulene
CID 144559189
methane;6-methylidenecyclohexa-2,4-dien-1-one;2-methylpropane
CID 157497539
5-methyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 13265824
2-methylidenecyclopent-3-en-1-one
CID 15805386
N'-methyl-N-(2-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 129181532
CID 101068244
CID 101068244
3-fluoro-7-methylidenecyclohepta-1,3,5-triene
CID 163960289
5-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 59831176
1,3a-dihydroinden-4-one
CID 102087814

Frequently Asked Questions

What is the IUPAC name of 1-iodyl-5-methylidenecyclopenta-1,3-diene?
The IUPAC name of 1-iodyl-5-methylidenecyclopenta-1,3-diene (CID 140968042) is 1-iodyl-5-methylidenecyclopenta-1,3-diene.
What is the SMILES notation for 1-iodyl-5-methylidenecyclopenta-1,3-diene?
The canonical SMILES for 1-iodyl-5-methylidenecyclopenta-1,3-diene is C=C1C=CC=C1I(=O)=O.
What is the InChIKey of 1-iodyl-5-methylidenecyclopenta-1,3-diene?
The InChIKey is WAICDEBOQXTMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IO2/c1-5-3-2-4-6(5)7(8)9/h2-4H,1H2.
What are the key properties of 1-iodyl-5-methylidenecyclopenta-1,3-diene?
1-iodyl-5-methylidenecyclopenta-1,3-diene has a molecular weight of 236.01 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodyl-5-methylidenecyclopenta-1,3-diene is sourced from PubChem (CID 140968042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).