3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one

C15H14INO — CID 57270902

IUPAC3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1=CC1C=CCCC1
InChIInChI=1S/C15H14INO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h2,4,6-10H,1,3,5H2,(H,17,18)
InChIKeyWFLZGGSCIISQGE-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.98
Rot. Bonds1

About 3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one

3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one (PubChem CID 57270902) has the molecular formula C15H14INO and a molecular weight of 351.19 g/mol. Its IUPAC name is 3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one.

Molecular Properties

Compound Name3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one
PubChem CID57270902
Molecular FormulaC15H14INO
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC Name3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1=CC1C=CCCC1
InChIInChI=1S/C15H14INO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h2,4,6-10H,1,3,5H2,(H,17,18)
InChIKeyWFLZGGSCIISQGE-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one?
The IUPAC name of 3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one (CID 57270902) is 3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one.
What is the SMILES notation for 3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one?
The canonical SMILES for 3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one is O=C1Nc2ccc(I)cc2C1=CC1C=CCCC1.
What is the InChIKey of 3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one?
The InChIKey is WFLZGGSCIISQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h2,4,6-10H,1,3,5H2,(H,17,18).
What are the key properties of 3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one?
3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one has a molecular weight of 351.19 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-2-en-1-ylmethylidene)-5-iodo-1H-indol-2-one is sourced from PubChem (CID 57270902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).