1-(iodomethyl)cyclobutane-1-carboxylic acid

C6H9IO2 — CID 130873802

IUPAC1-(iodomethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CI)CCC1
InChIInChI=1S/C6H9IO2/c7-4-6(5(8)9)2-1-3-6/h1-4H2,(H,8,9)
InChIKeyVMNNSAMLNDHRLG-UHFFFAOYSA-N
MW240.04 g/mol
LogP1.68
Rot. Bonds2

About 1-(iodomethyl)cyclobutane-1-carboxylic acid

1-(iodomethyl)cyclobutane-1-carboxylic acid (PubChem CID 130873802) has the molecular formula C6H9IO2 and a molecular weight of 240.04 g/mol. Its IUPAC name is 1-(iodomethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(iodomethyl)cyclobutane-1-carboxylic acid
PubChem CID130873802
Molecular FormulaC6H9IO2
Molecular Weight240.04 g/mol
Exact Mass239.96
IUPAC Name1-(iodomethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CI)CCC1
InChIInChI=1S/C6H9IO2/c7-4-6(5(8)9)2-1-3-6/h1-4H2,(H,8,9)
InChIKeyVMNNSAMLNDHRLG-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
1-(2-fluoroethyl)cyclobutane-1-carboxylic acid
CID 80693972
1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid
CID 79424868
1-(sulfanylmethyl)cyclopentane-1-carboxylic acid
CID 123782340
1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid
CID 79426153
1-(3-bromopropyl)cyclobutane-1-carboxylic acid
CID 18406028
1-(fluoromethyl)cycloheptane-1-carboxylic acid
CID 84766672
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-(carboxymethyl)cyclotridecane-1-carboxylic acid
CID 18620498
1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid
CID 83831372
methyl 1-(iodomethyl)cyclohexane-1-carboxylate
CID 58947958

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(iodomethyl)cyclobutane-1-carboxylic acid (CID 130873802) is 1-(iodomethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(iodomethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(iodomethyl)cyclobutane-1-carboxylic acid is O=C(O)C1(CI)CCC1.
What is the InChIKey of 1-(iodomethyl)cyclobutane-1-carboxylic acid?
The InChIKey is VMNNSAMLNDHRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IO2/c7-4-6(5(8)9)2-1-3-6/h1-4H2,(H,8,9).
What are the key properties of 1-(iodomethyl)cyclobutane-1-carboxylic acid?
1-(iodomethyl)cyclobutane-1-carboxylic acid has a molecular weight of 240.04 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 130873802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).