6-chloro-2-hex-1-enyl-1H-indole

C14H16ClN — CID 68754216

IUPAC6-chloro-2-hex-1-enyl-1H-indole
SMILESCCCCC=Cc1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H16ClN/c1-2-3-4-5-6-13-9-11-7-8-12(15)10-14(11)16-13/h5-10,16H,2-4H2,1H3
InChIKeyVOASOEPVQMVANE-UHFFFAOYSA-N
MW233.74 g/mol
LogP5.02
Rot. Bonds4

About 6-chloro-2-hex-1-enyl-1H-indole

6-chloro-2-hex-1-enyl-1H-indole (PubChem CID 68754216) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 6-chloro-2-hex-1-enyl-1H-indole.

Molecular Properties

Compound Name6-chloro-2-hex-1-enyl-1H-indole
PubChem CID68754216
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name6-chloro-2-hex-1-enyl-1H-indole
SMILESCCCCC=Cc1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H16ClN/c1-2-3-4-5-6-13-9-11-7-8-12(15)10-14(11)16-13/h5-10,16H,2-4H2,1H3
InChIKeyVOASOEPVQMVANE-UHFFFAOYSA-N
XLogP5.02
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.74
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-hex-1-enyl-1H-indole?
The IUPAC name of 6-chloro-2-hex-1-enyl-1H-indole (CID 68754216) is 6-chloro-2-hex-1-enyl-1H-indole.
What is the SMILES notation for 6-chloro-2-hex-1-enyl-1H-indole?
The canonical SMILES for 6-chloro-2-hex-1-enyl-1H-indole is CCCCC=Cc1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-hex-1-enyl-1H-indole?
The InChIKey is VOASOEPVQMVANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-2-3-4-5-6-13-9-11-7-8-12(15)10-14(11)16-13/h5-10,16H,2-4H2,1H3.
What are the key properties of 6-chloro-2-hex-1-enyl-1H-indole?
6-chloro-2-hex-1-enyl-1H-indole has a molecular weight of 233.74 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-hex-1-enyl-1H-indole is sourced from PubChem (CID 68754216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).