2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole

C14H15Cl2N — CID 65335430

IUPAC2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
SMILESClc1cc(Cl)c2[nH]c3c(c2c1)CCCCCC3
InChIInChI=1S/C14H15Cl2N/c15-9-7-11-10-5-3-1-2-4-6-13(10)17-14(11)12(16)8-9/h7-8,17H,1-6H2
InChIKeyDEMHSBPAMODNMP-UHFFFAOYSA-N
MW268.19 g/mol
LogP5.13
Rot. Bonds

About 2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole

2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole (PubChem CID 65335430) has the molecular formula C14H15Cl2N and a molecular weight of 268.19 g/mol. Its IUPAC name is 2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole.

Molecular Properties

Compound Name2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
PubChem CID65335430
Molecular FormulaC14H15Cl2N
Molecular Weight268.19 g/mol
Exact Mass267.06
IUPAC Name2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
SMILESClc1cc(Cl)c2[nH]c3c(c2c1)CCCCCC3
InChIInChI=1S/C14H15Cl2N/c15-9-7-11-10-5-3-1-2-4-6-13(10)17-14(11)12(16)8-9/h7-8,17H,1-6H2
InChIKeyDEMHSBPAMODNMP-UHFFFAOYSA-N
XLogP5.13
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.19
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole?
The IUPAC name of 2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole (CID 65335430) is 2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole.
What is the SMILES notation for 2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole?
The canonical SMILES for 2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole is Clc1cc(Cl)c2[nH]c3c(c2c1)CCCCCC3.
What is the InChIKey of 2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole?
The InChIKey is DEMHSBPAMODNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N/c15-9-7-11-10-5-3-1-2-4-6-13(10)17-14(11)12(16)8-9/h7-8,17H,1-6H2.
What are the key properties of 2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole?
2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole has a molecular weight of 268.19 g/mol, XLogP of 5.13, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole is sourced from PubChem (CID 65335430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).