9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide

C14H24IN3O — CID 164864596

IUPAC9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide
SMILESCC(C)n1cc(CCCCCCCCC(=O)I)nn1
InChIInChI=1S/C14H24IN3O/c1-12(2)18-11-13(16-17-18)9-7-5-3-4-6-8-10-14(15)19/h11-12H,3-10H2,1-2H3
InChIKeyUEZIRHQIKAAALG-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.09
Rot. Bonds10

About 9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide

9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide (PubChem CID 164864596) has the molecular formula C14H24IN3O and a molecular weight of 377.27 g/mol. Its IUPAC name is 9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide.

Molecular Properties

Compound Name9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide
PubChem CID164864596
Molecular FormulaC14H24IN3O
Molecular Weight377.27 g/mol
Exact Mass377.10
IUPAC Name9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide
SMILESCC(C)n1cc(CCCCCCCCC(=O)I)nn1
InChIInChI=1S/C14H24IN3O/c1-12(2)18-11-13(16-17-18)9-7-5-3-4-6-8-10-14(15)19/h11-12H,3-10H2,1-2H3
InChIKeyUEZIRHQIKAAALG-UHFFFAOYSA-N
XLogP4.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide?
The IUPAC name of 9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide (CID 164864596) is 9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide.
What is the SMILES notation for 9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide?
The canonical SMILES for 9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide is CC(C)n1cc(CCCCCCCCC(=O)I)nn1.
What is the InChIKey of 9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide?
The InChIKey is UEZIRHQIKAAALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24IN3O/c1-12(2)18-11-13(16-17-18)9-7-5-3-4-6-8-10-14(15)19/h11-12H,3-10H2,1-2H3.
What are the key properties of 9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide?
9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide has a molecular weight of 377.27 g/mol, XLogP of 4.09, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-propan-2-yltriazol-4-yl)nonanoyl iodide is sourced from PubChem (CID 164864596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).