9-propylcarbazole-3-carbonyl iodide

C16H14INO — CID 88957757

IUPAC9-propylcarbazole-3-carbonyl iodide
SMILESCCCn1c2ccccc2c2cc(C(=O)I)ccc21
InChIInChI=1S/C16H14INO/c1-2-9-18-14-6-4-3-5-12(14)13-10-11(16(17)19)7-8-15(13)18/h3-8,10H,2,9H2,1H3
InChIKeyKXTMBXPQEKGTPA-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.78
Rot. Bonds3

About 9-propylcarbazole-3-carbonyl iodide

9-propylcarbazole-3-carbonyl iodide (PubChem CID 88957757) has the molecular formula C16H14INO and a molecular weight of 363.20 g/mol. Its IUPAC name is 9-propylcarbazole-3-carbonyl iodide.

Molecular Properties

Compound Name9-propylcarbazole-3-carbonyl iodide
PubChem CID88957757
Molecular FormulaC16H14INO
Molecular Weight363.20 g/mol
Exact Mass363.01
IUPAC Name9-propylcarbazole-3-carbonyl iodide
SMILESCCCn1c2ccccc2c2cc(C(=O)I)ccc21
InChIInChI=1S/C16H14INO/c1-2-9-18-14-6-4-3-5-12(14)13-10-11(16(17)19)7-8-15(13)18/h3-8,10H,2,9H2,1H3
InChIKeyKXTMBXPQEKGTPA-UHFFFAOYSA-N
XLogP4.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-propylcarbazole-3-carbonyl iodide?
The IUPAC name of 9-propylcarbazole-3-carbonyl iodide (CID 88957757) is 9-propylcarbazole-3-carbonyl iodide.
What is the SMILES notation for 9-propylcarbazole-3-carbonyl iodide?
The canonical SMILES for 9-propylcarbazole-3-carbonyl iodide is CCCn1c2ccccc2c2cc(C(=O)I)ccc21.
What is the InChIKey of 9-propylcarbazole-3-carbonyl iodide?
The InChIKey is KXTMBXPQEKGTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO/c1-2-9-18-14-6-4-3-5-12(14)13-10-11(16(17)19)7-8-15(13)18/h3-8,10H,2,9H2,1H3.
What are the key properties of 9-propylcarbazole-3-carbonyl iodide?
9-propylcarbazole-3-carbonyl iodide has a molecular weight of 363.20 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propylcarbazole-3-carbonyl iodide is sourced from PubChem (CID 88957757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).