2-[(E)-dec-1-enyl]-1H-indole

C18H25N — CID 118043504

IUPAC2-[(E)-dec-1-enyl]-1H-indole
SMILESCCCCCCCC/C=C/c1cc2ccccc2[nH]1
InChIInChI=1S/C18H25N/c1-2-3-4-5-6-7-8-9-13-17-15-16-12-10-11-14-18(16)19-17/h9-15,19H,2-8H2,1H3/b13-9+
InChIKeyJXFXSNVHMHFNBA-UKTHLTGXSA-N
MW255.41 g/mol
LogP5.93
Rot. Bonds8

About 2-[(E)-dec-1-enyl]-1H-indole

2-[(E)-dec-1-enyl]-1H-indole (PubChem CID 118043504) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[(E)-dec-1-enyl]-1H-indole.

Molecular Properties

Compound Name2-[(E)-dec-1-enyl]-1H-indole
PubChem CID118043504
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name2-[(E)-dec-1-enyl]-1H-indole
SMILESCCCCCCCC/C=C/c1cc2ccccc2[nH]1
InChIInChI=1S/C18H25N/c1-2-3-4-5-6-7-8-9-13-17-15-16-12-10-11-14-18(16)19-17/h9-15,19H,2-8H2,1H3/b13-9+
InChIKeyJXFXSNVHMHFNBA-UKTHLTGXSA-N
XLogP5.93
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.41
LogP ≤ 55.93
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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Related Compounds

6-chloro-2-hex-1-enyl-1H-indole
CID 68754216
2-[(E)-docos-1-enyl]naphthalene
CID 101307759
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399
2-[(E)-octacos-1-enyl]-1H-pyrrole
CID 173176547
2-[(E)-hexacos-1-enyl]-1H-pyrrole
CID 173177344
2-(4-methoxypenta-1,4-dienyl)-1H-indole
CID 142763611
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
[(E)-octadec-1-enyl]benzene
CID 22722345
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
2-[(E)-dodec-1-enyl]pyridine
CID 166438666

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-dec-1-enyl]-1H-indole?
The IUPAC name of 2-[(E)-dec-1-enyl]-1H-indole (CID 118043504) is 2-[(E)-dec-1-enyl]-1H-indole.
What is the SMILES notation for 2-[(E)-dec-1-enyl]-1H-indole?
The canonical SMILES for 2-[(E)-dec-1-enyl]-1H-indole is CCCCCCCC/C=C/c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[(E)-dec-1-enyl]-1H-indole?
The InChIKey is JXFXSNVHMHFNBA-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H25N/c1-2-3-4-5-6-7-8-9-13-17-15-16-12-10-11-14-18(16)19-17/h9-15,19H,2-8H2,1H3/b13-9+.
What are the key properties of 2-[(E)-dec-1-enyl]-1H-indole?
2-[(E)-dec-1-enyl]-1H-indole has a molecular weight of 255.41 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-dec-1-enyl]-1H-indole is sourced from PubChem (CID 118043504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).