2-hexylideneindole

C14H17N — CID 87404983

IUPAC2-hexylideneindole
SMILESCCCCCC=C1C=c2ccccc2=N1
InChIInChI=1S/C14H17N/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13/h6-11H,2-5H2,1H3
InChIKeyUAGGFYXCVJSRCI-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.56
Rot. Bonds4

About 2-hexylideneindole

2-hexylideneindole (PubChem CID 87404983) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-hexylideneindole.

Molecular Properties

Compound Name2-hexylideneindole
PubChem CID87404983
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-hexylideneindole
SMILESCCCCCC=C1C=c2ccccc2=N1
InChIInChI=1S/C14H17N/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13/h6-11H,2-5H2,1H3
InChIKeyUAGGFYXCVJSRCI-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-9H-pyrido[4,3-b]indole
CID 15897930
4H-Carbazole
CID 19360791
2H-carbazole
CID 19830578
Methyleneindole
CID 20077160
Cyclopentacarbazole
CID 21887528
2,3,4,5-tetrahydro-1H-carbazole
CID 22592025
2-Methylindol-2-ylium
CID 57054412
Dihydroindeno[1,2-b]indole
CID 69302209
Dihydroindolo[3,2-b]carbazole
CID 69944640
5-fluoro-2H-carbazole
CID 139329693
4-Methyl-2-(4-methylcyclopenta[b]pyridin-2-ylidene)cyclopenta[b]pyridine
CID 11250719
3-Amino-1,4-dimethyl-5h-pyrido[3,4-b]indole
CID 101081692

Frequently Asked Questions

What is the IUPAC name of 2-hexylideneindole?
The IUPAC name of 2-hexylideneindole (CID 87404983) is 2-hexylideneindole.
What is the SMILES notation for 2-hexylideneindole?
The canonical SMILES for 2-hexylideneindole is CCCCCC=C1C=c2ccccc2=N1.
What is the InChIKey of 2-hexylideneindole?
The InChIKey is UAGGFYXCVJSRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13/h6-11H,2-5H2,1H3.
What are the key properties of 2-hexylideneindole?
2-hexylideneindole has a molecular weight of 199.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylideneindole is sourced from PubChem (CID 87404983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).