1-(5-iodooxolan-2-yl)but-3-en-1-amine

C8H14INO — CID 144952768

IUPAC1-(5-iodooxolan-2-yl)but-3-en-1-amine
SMILESC=CCC(N)C1CCC(I)O1
InChIInChI=1S/C8H14INO/c1-2-3-6(10)7-4-5-8(9)11-7/h2,6-8H,1,3-5,10H2
InChIKeyLDXZHMVDBSYUMX-UHFFFAOYSA-N
MW267.11 g/mol
LogP1.83
Rot. Bonds3

About 1-(5-iodooxolan-2-yl)but-3-en-1-amine

1-(5-iodooxolan-2-yl)but-3-en-1-amine (PubChem CID 144952768) has the molecular formula C8H14INO and a molecular weight of 267.11 g/mol. Its IUPAC name is 1-(5-iodooxolan-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(5-iodooxolan-2-yl)but-3-en-1-amine
PubChem CID144952768
Molecular FormulaC8H14INO
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Name1-(5-iodooxolan-2-yl)but-3-en-1-amine
SMILESC=CCC(N)C1CCC(I)O1
InChIInChI=1S/C8H14INO/c1-2-3-6(10)7-4-5-8(9)11-7/h2,6-8H,1,3-5,10H2
InChIKeyLDXZHMVDBSYUMX-UHFFFAOYSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 51.83
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(5-iodooxolan-2-yl)but-3-en-1-amine?
The IUPAC name of 1-(5-iodooxolan-2-yl)but-3-en-1-amine (CID 144952768) is 1-(5-iodooxolan-2-yl)but-3-en-1-amine.
What is the SMILES notation for 1-(5-iodooxolan-2-yl)but-3-en-1-amine?
The canonical SMILES for 1-(5-iodooxolan-2-yl)but-3-en-1-amine is C=CCC(N)C1CCC(I)O1.
What is the InChIKey of 1-(5-iodooxolan-2-yl)but-3-en-1-amine?
The InChIKey is LDXZHMVDBSYUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INO/c1-2-3-6(10)7-4-5-8(9)11-7/h2,6-8H,1,3-5,10H2.
What are the key properties of 1-(5-iodooxolan-2-yl)but-3-en-1-amine?
1-(5-iodooxolan-2-yl)but-3-en-1-amine has a molecular weight of 267.11 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodooxolan-2-yl)but-3-en-1-amine is sourced from PubChem (CID 144952768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).