3-[(E)-5-methylhex-3-en-2-yl]-1H-indole

C15H19N — CID 102097534

IUPAC3-[(E)-5-methylhex-3-en-2-yl]-1H-indole
SMILESCC(C)/C=C/C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C15H19N/c1-11(2)8-9-12(3)14-10-16-15-7-5-4-6-13(14)15/h4-12,16H,1-3H3/b9-8+
InChIKeyTUWISLNGALIEGR-CMDGGOBGSA-N
MW213.32 g/mol
LogP4.48
Rot. Bonds3

About 3-[(E)-5-methylhex-3-en-2-yl]-1H-indole

3-[(E)-5-methylhex-3-en-2-yl]-1H-indole (PubChem CID 102097534) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(E)-5-methylhex-3-en-2-yl]-1H-indole.

Molecular Properties

Compound Name3-[(E)-5-methylhex-3-en-2-yl]-1H-indole
PubChem CID102097534
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-[(E)-5-methylhex-3-en-2-yl]-1H-indole
SMILESCC(C)/C=C/C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C15H19N/c1-11(2)8-9-12(3)14-10-16-15-7-5-4-6-13(14)15/h4-12,16H,1-3H3/b9-8+
InChIKeyTUWISLNGALIEGR-CMDGGOBGSA-N
XLogP4.48
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-1H-indole
CID 12534824
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
CID 10631907
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
CID 4089115
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
2-amino-3-(1H-indol-3-yl)butanal
CID 174494789
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 50916095
3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole
CID 11360037
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11131857

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-5-methylhex-3-en-2-yl]-1H-indole?
The IUPAC name of 3-[(E)-5-methylhex-3-en-2-yl]-1H-indole (CID 102097534) is 3-[(E)-5-methylhex-3-en-2-yl]-1H-indole.
What is the SMILES notation for 3-[(E)-5-methylhex-3-en-2-yl]-1H-indole?
The canonical SMILES for 3-[(E)-5-methylhex-3-en-2-yl]-1H-indole is CC(C)/C=C/C(C)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[(E)-5-methylhex-3-en-2-yl]-1H-indole?
The InChIKey is TUWISLNGALIEGR-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H19N/c1-11(2)8-9-12(3)14-10-16-15-7-5-4-6-13(14)15/h4-12,16H,1-3H3/b9-8+.
What are the key properties of 3-[(E)-5-methylhex-3-en-2-yl]-1H-indole?
3-[(E)-5-methylhex-3-en-2-yl]-1H-indole has a molecular weight of 213.32 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-5-methylhex-3-en-2-yl]-1H-indole is sourced from PubChem (CID 102097534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).