4-hept-1-enyl-1H-indole

C15H19N — CID 174657587

IUPAC4-hept-1-enyl-1H-indole
SMILESCCCCCC=Cc1cccc2[nH]ccc12
InChIInChI=1S/C15H19N/c1-2-3-4-5-6-8-13-9-7-10-15-14(13)11-12-16-15/h6-12,16H,2-5H2,1H3
InChIKeyJVGGQBOLKCFLTK-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.76
Rot. Bonds5

About 4-hept-1-enyl-1H-indole

4-hept-1-enyl-1H-indole (PubChem CID 174657587) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-hept-1-enyl-1H-indole.

Molecular Properties

Compound Name4-hept-1-enyl-1H-indole
PubChem CID174657587
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4-hept-1-enyl-1H-indole
SMILESCCCCCC=Cc1cccc2[nH]ccc12
InChIInChI=1S/C15H19N/c1-2-3-4-5-6-8-13-9-7-10-15-14(13)11-12-16-15/h6-12,16H,2-5H2,1H3
InChIKeyJVGGQBOLKCFLTK-UHFFFAOYSA-N
XLogP4.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.76
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

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2,3-bis[(E)-docos-1-enyl]-1H-pyrrole
CID 173176733
2,3-bis[(E)-octacos-1-enyl]-1H-pyrrole
CID 173176322
2,3-bis[(E)-tridec-1-enyl]-1H-pyrrole
CID 173177338
4-prop-1-enyl-1H-indole
CID 77378608
2-[(E)-octacos-1-enyl]-1H-pyrrole
CID 173176547
2-[(E)-hexacos-1-enyl]-1H-pyrrole
CID 173177344
3-dec-1-enylbenzene-1,2-diol
CID 139606028
4-(1H-indol-4-yl)but-3-enoic acid
CID 170483706
1-methyl-2-[(E)-oct-1-enyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 4-hept-1-enyl-1H-indole?
The IUPAC name of 4-hept-1-enyl-1H-indole (CID 174657587) is 4-hept-1-enyl-1H-indole.
What is the SMILES notation for 4-hept-1-enyl-1H-indole?
The canonical SMILES for 4-hept-1-enyl-1H-indole is CCCCCC=Cc1cccc2[nH]ccc12.
What is the InChIKey of 4-hept-1-enyl-1H-indole?
The InChIKey is JVGGQBOLKCFLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-3-4-5-6-8-13-9-7-10-15-14(13)11-12-16-15/h6-12,16H,2-5H2,1H3.
What are the key properties of 4-hept-1-enyl-1H-indole?
4-hept-1-enyl-1H-indole has a molecular weight of 213.32 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-1-enyl-1H-indole is sourced from PubChem (CID 174657587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).