iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene

C18H26INS — CID 160584427

IUPACiodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene
SMILESCC1=CCCC1.CI.Cc1cccnc1.Cc1ccsc1
InChIInChI=1S/C6H7N.C6H10.C5H6S.CH3I/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-2/h2-5H,1H3;4H,2-3,5H2,1H3;2-4H,1H3;1H3
InChIKeyRCEXEQSHJPKPID-UHFFFAOYSA-N
MW415.38 g/mol
LogP6.61
Rot. Bonds

About iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene

iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene (PubChem CID 160584427) has the molecular formula C18H26INS and a molecular weight of 415.38 g/mol. Its IUPAC name is iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene.

Molecular Properties

Compound Nameiodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene
PubChem CID160584427
Molecular FormulaC18H26INS
Molecular Weight415.38 g/mol
Exact Mass415.08
IUPAC Nameiodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene
SMILESCC1=CCCC1.CI.Cc1cccnc1.Cc1ccsc1
InChIInChI=1S/C6H7N.C6H10.C5H6S.CH3I/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-2/h2-5H,1H3;4H,2-3,5H2,1H3;2-4H,1H3;1H3
InChIKeyRCEXEQSHJPKPID-UHFFFAOYSA-N
XLogP6.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.38
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
ethane;3-methylpyridine;hydroiodide
CID 143140941
bis(3-methylpyridine);tetrachloroplatinum
CID 3415062
N,N-dimethylmethanamine;ethane;3-methylpyridine
CID 142096313
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388
dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride
CID 119057635
3-methylpyridine;4-methylpyridine
CID 21425791
ethane;methane;3-methylpyridine;toluene;1,4-xylene
CID 159514301
3-chloropyridine;3-methylpyridine
CID 174960532
2-chloro-5-methylpyridine;3-methylpyridine
CID 143093216
methoxyethane;3-methylpyridine
CID 144662760

Frequently Asked Questions

What is the IUPAC name of iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene?
The IUPAC name of iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene (CID 160584427) is iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene.
What is the SMILES notation for iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene?
The canonical SMILES for iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene is CC1=CCCC1.CI.Cc1cccnc1.Cc1ccsc1.
What is the InChIKey of iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene?
The InChIKey is RCEXEQSHJPKPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C6H10.C5H6S.CH3I/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-2/h2-5H,1H3;4H,2-3,5H2,1H3;2-4H,1H3;1H3.
What are the key properties of iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene?
iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene has a molecular weight of 415.38 g/mol, XLogP of 6.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;1-methylcyclopentene;3-methylpyridine;3-methylthiophene is sourced from PubChem (CID 160584427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).