3-(1-methylcyclopentyl)propanoyl iodide

C9H15IO — CID 134485203

IUPAC3-(1-methylcyclopentyl)propanoyl iodide
SMILESCC1(CCC(=O)I)CCCC1
InChIInChI=1S/C9H15IO/c1-9(5-2-3-6-9)7-4-8(10)11/h2-7H2,1H3
InChIKeySHTLZTKQDZDQGW-UHFFFAOYSA-N
MW266.12 g/mol
LogP3.31
Rot. Bonds3

About 3-(1-methylcyclopentyl)propanoyl iodide

3-(1-methylcyclopentyl)propanoyl iodide (PubChem CID 134485203) has the molecular formula C9H15IO and a molecular weight of 266.12 g/mol. Its IUPAC name is 3-(1-methylcyclopentyl)propanoyl iodide.

Molecular Properties

Compound Name3-(1-methylcyclopentyl)propanoyl iodide
PubChem CID134485203
Molecular FormulaC9H15IO
Molecular Weight266.12 g/mol
Exact Mass266.02
IUPAC Name3-(1-methylcyclopentyl)propanoyl iodide
SMILESCC1(CCC(=O)I)CCCC1
InChIInChI=1S/C9H15IO/c1-9(5-2-3-6-9)7-4-8(10)11/h2-7H2,1H3
InChIKeySHTLZTKQDZDQGW-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopentyl)propanoyl iodide?
The IUPAC name of 3-(1-methylcyclopentyl)propanoyl iodide (CID 134485203) is 3-(1-methylcyclopentyl)propanoyl iodide.
What is the SMILES notation for 3-(1-methylcyclopentyl)propanoyl iodide?
The canonical SMILES for 3-(1-methylcyclopentyl)propanoyl iodide is CC1(CCC(=O)I)CCCC1.
What is the InChIKey of 3-(1-methylcyclopentyl)propanoyl iodide?
The InChIKey is SHTLZTKQDZDQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO/c1-9(5-2-3-6-9)7-4-8(10)11/h2-7H2,1H3.
What are the key properties of 3-(1-methylcyclopentyl)propanoyl iodide?
3-(1-methylcyclopentyl)propanoyl iodide has a molecular weight of 266.12 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopentyl)propanoyl iodide is sourced from PubChem (CID 134485203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).