5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene

C7H8I- — CID 163460635

IUPAC5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene
SMILESC=C1C=CC([I-]C)=C1
InChIInChI=1S/C7H8I/c1-6-3-4-7(5-6)8-2/h3-5H,1H2,2H3/q-1
InChIKeyOHSPBBPPUVJBFD-UHFFFAOYSA-N
MW219.04 g/mol
LogP-1.28
Rot. Bonds1

About 5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene

5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene (PubChem CID 163460635) has the molecular formula C7H8I- and a molecular weight of 219.04 g/mol. Its IUPAC name is 5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene
PubChem CID163460635
Molecular FormulaC7H8I-
Molecular Weight219.04 g/mol
Exact Mass218.97
IUPAC Name5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene
SMILESC=C1C=CC([I-]C)=C1
InChIInChI=1S/C7H8I/c1-6-3-4-7(5-6)8-2/h3-5H,1H2,2H3/q-1
InChIKeyOHSPBBPPUVJBFD-UHFFFAOYSA-N
XLogP-1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 5-1.28
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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Related Compounds

methane;2-methyl-5-methylidenecyclopenta-1,3-diene
CID 142180985
(4Z,7Z,10Z,13Z)-3,6,9,12,15-pentamethylidenecyclopentadeca-1,4,7,10,13-pentaene
CID 90931509
3-methyl-5-methylidene-1-methyliodanuidylcyclohexa-1,3-diene
CID 163718956
CID 100988554
CID 100988554
CID 101068244
CID 101068244
3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene
CID 59811849
(2Z,4Z,7Z)-4-methyl-6-methylidene-1H-diazocine
CID 143711928
1,6-dichloro-3-methylidenecyclohexa-1,4-diene
CID 135469084
(E)-3-(6-imino-3-methylidenecyclohexa-1,4-dien-1-yl)prop-2-enoic acid
CID 89261226
zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide
CID 159107750
2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol
CID 143566359
3-fluoro-7-methylidenecyclohepta-1,3,5-triene
CID 163960289

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene?
The IUPAC name of 5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene (CID 163460635) is 5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene.
What is the SMILES notation for 5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene?
The canonical SMILES for 5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene is C=C1C=CC([I-]C)=C1.
What is the InChIKey of 5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene?
The InChIKey is OHSPBBPPUVJBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8I/c1-6-3-4-7(5-6)8-2/h3-5H,1H2,2H3/q-1.
What are the key properties of 5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene?
5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene has a molecular weight of 219.04 g/mol, XLogP of -1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene is sourced from PubChem (CID 163460635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).