5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole

C13H17Cl2N — CID 106985724

IUPAC5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole
SMILESCCCCCC1CNc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H17Cl2N/c1-2-3-4-5-9-8-16-13-11(9)6-10(14)7-12(13)15/h6-7,9,16H,2-5,8H2,1H3
InChIKeyVHLBIRHYRDZPAF-UHFFFAOYSA-N
MW258.19 g/mol
LogP5.08
Rot. Bonds4

About 5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole

5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole (PubChem CID 106985724) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole
PubChem CID106985724
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole
SMILESCCCCCC1CNc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H17Cl2N/c1-2-3-4-5-9-8-16-13-11(9)6-10(14)7-12(13)15/h6-7,9,16H,2-5,8H2,1H3
InChIKeyVHLBIRHYRDZPAF-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.19
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)methanol
CID 83917330
7-methyl-3-nonyl-2,3-dihydro-1H-indole
CID 106986257
3-decyl-5,7-difluoro-2,3-dihydro-1H-indole
CID 106986208
5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole
CID 106985694
7-chloro-3-propyl-2,3-dihydro-1H-indole
CID 106985714
3-butyl-5-methyl-2,3-dihydro-1H-indole
CID 106820126
(3S)-3-hexadecyl-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride
CID 70486811
3-heptyl-5-nitro-2,3-dihydro-1H-indole
CID 106986289
5-nitro-3-octyl-2,3-dihydro-1H-indole
CID 106985809
methyl 3-undecyl-2,3-dihydro-1H-indole-6-carboxylate
CID 12799984
methyl 3-octyl-2,3-dihydro-1H-indole-5-carboxylate
CID 12799982
1,5-dichloro-3-cyclopropyl-2-ethylbenzene
CID 123359975

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole?
The IUPAC name of 5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole (CID 106985724) is 5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole is CCCCCC1CNc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole?
The InChIKey is VHLBIRHYRDZPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-2-3-4-5-9-8-16-13-11(9)6-10(14)7-12(13)15/h6-7,9,16H,2-5,8H2,1H3.
What are the key properties of 5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole?
5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole has a molecular weight of 258.19 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).