3-hex-1-en-3-yl-2-pentyl-1H-indole

C19H27N — CID 10849606

IUPAC3-hex-1-en-3-yl-2-pentyl-1H-indole
SMILESC=CC(CCC)c1c(CCCCC)[nH]c2ccccc12
InChIInChI=1S/C19H27N/c1-4-7-8-14-18-19(15(6-3)11-5-2)16-12-9-10-13-17(16)20-18/h6,9-10,12-13,15,20H,3-5,7-8,11,14H2,1-2H3
InChIKeyCDPKLVIOLKISJR-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.97
Rot. Bonds8

About 3-hex-1-en-3-yl-2-pentyl-1H-indole

3-hex-1-en-3-yl-2-pentyl-1H-indole (PubChem CID 10849606) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-hex-1-en-3-yl-2-pentyl-1H-indole.

Molecular Properties

Compound Name3-hex-1-en-3-yl-2-pentyl-1H-indole
PubChem CID10849606
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name3-hex-1-en-3-yl-2-pentyl-1H-indole
SMILESC=CC(CCC)c1c(CCCCC)[nH]c2ccccc12
InChIInChI=1S/C19H27N/c1-4-7-8-14-18-19(15(6-3)11-5-2)16-12-9-10-13-17(16)20-18/h6,9-10,12-13,15,20H,3-5,7-8,11,14H2,1-2H3
InChIKeyCDPKLVIOLKISJR-UHFFFAOYSA-N
XLogP5.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-octyl-1H-quinolin-4-one
CID 50915414
2-(2-pentyl-1H-indol-3-yl)ethyl acetate
CID 11054855
3-hexan-2-yl-1H-indol-2-amine
CID 151629359
2-dodecyl-9H-carbazole
CID 21248548
bis(9H-carbazole);propane
CID 90987002
1-[(3S)-non-1-en-3-yl]naphthalene
CID 102346574
2-octyl-3-phenyl-1H-quinolin-4-one
CID 135391605
3-(2-chlorophenyl)-2-hexyl-1H-indole
CID 86023590
2-pentadec-1-en-3-ylphenol
CID 67611246
1-hex-1-en-3-yl-N-methylnaphthalen-2-amine
CID 163646641
1-methyl-3-pentyl-2H-isoindole
CID 91004713
1-nonyl-9H-carbazole
CID 66872642

Frequently Asked Questions

What is the IUPAC name of 3-hex-1-en-3-yl-2-pentyl-1H-indole?
The IUPAC name of 3-hex-1-en-3-yl-2-pentyl-1H-indole (CID 10849606) is 3-hex-1-en-3-yl-2-pentyl-1H-indole.
What is the SMILES notation for 3-hex-1-en-3-yl-2-pentyl-1H-indole?
The canonical SMILES for 3-hex-1-en-3-yl-2-pentyl-1H-indole is C=CC(CCC)c1c(CCCCC)[nH]c2ccccc12.
What is the InChIKey of 3-hex-1-en-3-yl-2-pentyl-1H-indole?
The InChIKey is CDPKLVIOLKISJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-4-7-8-14-18-19(15(6-3)11-5-2)16-12-9-10-13-17(16)20-18/h6,9-10,12-13,15,20H,3-5,7-8,11,14H2,1-2H3.
What are the key properties of 3-hex-1-en-3-yl-2-pentyl-1H-indole?
3-hex-1-en-3-yl-2-pentyl-1H-indole has a molecular weight of 269.43 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-en-3-yl-2-pentyl-1H-indole is sourced from PubChem (CID 10849606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).