2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole

C15H16IN — CID 166663898

IUPAC2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole
SMILESC=Cc1c(C=C)n(C(C)(C)I)c2ccccc12
InChIInChI=1S/C15H16IN/c1-5-11-12-9-7-8-10-14(12)17(13(11)6-2)15(3,4)16/h5-10H,1-2H2,3-4H3
InChIKeyWVEPDCICCZZMGH-UHFFFAOYSA-N
MW337.20 g/mol
LogP5.05
Rot. Bonds3

About 2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole

2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole (PubChem CID 166663898) has the molecular formula C15H16IN and a molecular weight of 337.20 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole
PubChem CID166663898
Molecular FormulaC15H16IN
Molecular Weight337.20 g/mol
Exact Mass337.03
IUPAC Name2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole
SMILESC=Cc1c(C=C)n(C(C)(C)I)c2ccccc12
InChIInChI=1S/C15H16IN/c1-5-11-12-9-7-8-10-14(12)17(13(11)6-2)15(3,4)16/h5-10H,1-2H2,3-4H3
InChIKeyWVEPDCICCZZMGH-UHFFFAOYSA-N
XLogP5.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.20
LogP ≤ 55.05
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole?
The IUPAC name of 2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole (CID 166663898) is 2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole.
What is the SMILES notation for 2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole?
The canonical SMILES for 2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole is C=Cc1c(C=C)n(C(C)(C)I)c2ccccc12.
What is the InChIKey of 2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole?
The InChIKey is WVEPDCICCZZMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN/c1-5-11-12-9-7-8-10-14(12)17(13(11)6-2)15(3,4)16/h5-10H,1-2H2,3-4H3.
What are the key properties of 2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole?
2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole has a molecular weight of 337.20 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole is sourced from PubChem (CID 166663898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).