3-hexyl-1H-indole-6-carbaldehyde

C15H19NO — CID 156692445

IUPAC3-hexyl-1H-indole-6-carbaldehyde
SMILESCCCCCCc1c[nH]c2cc(C=O)ccc12
InChIInChI=1S/C15H19NO/c1-2-3-4-5-6-13-10-16-15-9-12(11-17)7-8-14(13)15/h7-11,16H,2-6H2,1H3
InChIKeyADEYVMAYXCJDMB-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.10
Rot. Bonds6

About 3-hexyl-1H-indole-6-carbaldehyde

3-hexyl-1H-indole-6-carbaldehyde (PubChem CID 156692445) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-hexyl-1H-indole-6-carbaldehyde.

Molecular Properties

Compound Name3-hexyl-1H-indole-6-carbaldehyde
PubChem CID156692445
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-hexyl-1H-indole-6-carbaldehyde
SMILESCCCCCCc1c[nH]c2cc(C=O)ccc12
InChIInChI=1S/C15H19NO/c1-2-3-4-5-6-13-10-16-15-9-12(11-17)7-8-14(13)15/h7-11,16H,2-6H2,1H3
InChIKeyADEYVMAYXCJDMB-UHFFFAOYSA-N
XLogP4.10
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-hexadecyl-1H-indole-6-carboxylic acid
CID 12797258
3-octyl-1H-indole-6-carboxylic acid
CID 12797257
3-(4-chlorobutyl)-1H-indole-5-carbaldehyde
CID 125481963
4-hydroxy-3-pentylbenzaldehyde
CID 57447727
3-heptyl-1H-indole
CID 15360907
3-bromo-1H-indole-6-carbaldehyde
CID 74787786
3-docosyl-1H-pyrrole-2-carbaldehyde
CID 163030493
3-icosyl-1H-pyrrole-2-carbaldehyde
CID 162936507
3-butyl-6-ethyl-5-methyl-1H-indole
CID 123200442
ethane;4-pentylbenzaldehyde
CID 143882863
ethane;methane;3-pentyl-1H-indole-5-carbonitrile
CID 142891343
3-nitro-1H-indole-6-carbaldehyde
CID 83877343

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-1H-indole-6-carbaldehyde?
The IUPAC name of 3-hexyl-1H-indole-6-carbaldehyde (CID 156692445) is 3-hexyl-1H-indole-6-carbaldehyde.
What is the SMILES notation for 3-hexyl-1H-indole-6-carbaldehyde?
The canonical SMILES for 3-hexyl-1H-indole-6-carbaldehyde is CCCCCCc1c[nH]c2cc(C=O)ccc12.
What is the InChIKey of 3-hexyl-1H-indole-6-carbaldehyde?
The InChIKey is ADEYVMAYXCJDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-3-4-5-6-13-10-16-15-9-12(11-17)7-8-14(13)15/h7-11,16H,2-6H2,1H3.
What are the key properties of 3-hexyl-1H-indole-6-carbaldehyde?
3-hexyl-1H-indole-6-carbaldehyde has a molecular weight of 229.32 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-1H-indole-6-carbaldehyde is sourced from PubChem (CID 156692445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).