2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

C9H16INO — CID 59827037

IUPAC2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCN1CCC2OC(CI)CC2C1
InChIInChI=1S/C9H16INO/c1-11-3-2-9-7(6-11)4-8(5-10)12-9/h7-9H,2-6H2,1H3
InChIKeyGJMLCRJVUWBOOW-UHFFFAOYSA-N
MW281.14 g/mol
LogP1.53
Rot. Bonds1

About 2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 59827037) has the molecular formula C9H16INO and a molecular weight of 281.14 g/mol. Its IUPAC name is 2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID59827037
Molecular FormulaC9H16INO
Molecular Weight281.14 g/mol
Exact Mass281.03
IUPAC Name2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCN1CCC2OC(CI)CC2C1
InChIInChI=1S/C9H16INO/c1-11-3-2-9-7(6-11)4-8(5-10)12-9/h7-9H,2-6H2,1H3
InChIKeyGJMLCRJVUWBOOW-UHFFFAOYSA-N
XLogP1.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 51.53
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of 2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 59827037) is 2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for 2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for 2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is CN1CCC2OC(CI)CC2C1.
What is the InChIKey of 2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is GJMLCRJVUWBOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16INO/c1-11-3-2-9-7(6-11)4-8(5-10)12-9/h7-9H,2-6H2,1H3.
What are the key properties of 2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 281.14 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 59827037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).