5-chloro-3-heptan-3-yl-1H-indole

C15H20ClN — CID 106985273

IUPAC5-chloro-3-heptan-3-yl-1H-indole
SMILESCCCCC(CC)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H20ClN/c1-3-5-6-11(4-2)14-10-17-15-8-7-12(16)9-13(14)15/h7-11,17H,3-6H2,1-2H3
InChIKeyPGXLPYZTCRKKOU-UHFFFAOYSA-N
MW249.78 g/mol
LogP5.51
Rot. Bonds5

About 5-chloro-3-heptan-3-yl-1H-indole

5-chloro-3-heptan-3-yl-1H-indole (PubChem CID 106985273) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 5-chloro-3-heptan-3-yl-1H-indole.

Molecular Properties

Compound Name5-chloro-3-heptan-3-yl-1H-indole
PubChem CID106985273
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name5-chloro-3-heptan-3-yl-1H-indole
SMILESCCCCC(CC)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H20ClN/c1-3-5-6-11(4-2)14-10-17-15-8-7-12(16)9-13(14)15/h7-11,17H,3-6H2,1-2H3
InChIKeyPGXLPYZTCRKKOU-UHFFFAOYSA-N
XLogP5.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.78
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-chloro-3-[(2S)-1-nitroundecan-2-yl]-1H-indole
CID 139252688
1-(5-chloro-1H-indol-3-yl)butan-1-ol
CID 118499287
(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
CID 82758549
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957
(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide
CID 17271856
(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
CID 96776234
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-heptan-3-yl-1H-indole?
The IUPAC name of 5-chloro-3-heptan-3-yl-1H-indole (CID 106985273) is 5-chloro-3-heptan-3-yl-1H-indole.
What is the SMILES notation for 5-chloro-3-heptan-3-yl-1H-indole?
The canonical SMILES for 5-chloro-3-heptan-3-yl-1H-indole is CCCCC(CC)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-heptan-3-yl-1H-indole?
The InChIKey is PGXLPYZTCRKKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-3-5-6-11(4-2)14-10-17-15-8-7-12(16)9-13(14)15/h7-11,17H,3-6H2,1-2H3.
What are the key properties of 5-chloro-3-heptan-3-yl-1H-indole?
5-chloro-3-heptan-3-yl-1H-indole has a molecular weight of 249.78 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-heptan-3-yl-1H-indole is sourced from PubChem (CID 106985273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).