1-hept-6-enylindole-5-carbaldehyde

C16H19NO — CID 107008123

IUPAC1-hept-6-enylindole-5-carbaldehyde
SMILESC=CCCCCCn1ccc2cc(C=O)ccc21
InChIInChI=1S/C16H19NO/c1-2-3-4-5-6-10-17-11-9-15-12-14(13-18)7-8-16(15)17/h2,7-9,11-13H,1,3-6,10H2
InChIKeyBCCKILYINODVSQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.20
Rot. Bonds7

About 1-hept-6-enylindole-5-carbaldehyde

1-hept-6-enylindole-5-carbaldehyde (PubChem CID 107008123) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-hept-6-enylindole-5-carbaldehyde.

Molecular Properties

Compound Name1-hept-6-enylindole-5-carbaldehyde
PubChem CID107008123
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-hept-6-enylindole-5-carbaldehyde
SMILESC=CCCCCCn1ccc2cc(C=O)ccc21
InChIInChI=1S/C16H19NO/c1-2-3-4-5-6-10-17-11-9-15-12-14(13-18)7-8-16(15)17/h2,7-9,11-13H,1,3-6,10H2
InChIKeyBCCKILYINODVSQ-UHFFFAOYSA-N
XLogP4.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enylindole-5-carbaldehyde?
The IUPAC name of 1-hept-6-enylindole-5-carbaldehyde (CID 107008123) is 1-hept-6-enylindole-5-carbaldehyde.
What is the SMILES notation for 1-hept-6-enylindole-5-carbaldehyde?
The canonical SMILES for 1-hept-6-enylindole-5-carbaldehyde is C=CCCCCCn1ccc2cc(C=O)ccc21.
What is the InChIKey of 1-hept-6-enylindole-5-carbaldehyde?
The InChIKey is BCCKILYINODVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-4-5-6-10-17-11-9-15-12-14(13-18)7-8-16(15)17/h2,7-9,11-13H,1,3-6,10H2.
What are the key properties of 1-hept-6-enylindole-5-carbaldehyde?
1-hept-6-enylindole-5-carbaldehyde has a molecular weight of 241.33 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enylindole-5-carbaldehyde is sourced from PubChem (CID 107008123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).