5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane]

C13H15Cl2N — CID 102168936

IUPAC5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESClc1cc(Cl)c2c(c1)C1(CCCCC1)CN2
InChIInChI=1S/C13H15Cl2N/c14-9-6-10-12(11(15)7-9)16-8-13(10)4-2-1-3-5-13/h6-7,16H,1-5,8H2
InChIKeyDRNUVHXQKJWVDT-UHFFFAOYSA-N
MW256.18 g/mol
LogP4.62
Rot. Bonds

About 5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane]

5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane] (PubChem CID 102168936) has the molecular formula C13H15Cl2N and a molecular weight of 256.18 g/mol. Its IUPAC name is 5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane].

Molecular Properties

Compound Name5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane]
PubChem CID102168936
Molecular FormulaC13H15Cl2N
Molecular Weight256.18 g/mol
Exact Mass255.06
IUPAC Name5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESClc1cc(Cl)c2c(c1)C1(CCCCC1)CN2
InChIInChI=1S/C13H15Cl2N/c14-9-6-10-12(11(15)7-9)16-8-13(10)4-2-1-3-5-13/h6-7,16H,1-5,8H2
InChIKeyDRNUVHXQKJWVDT-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane]?
The IUPAC name of 5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane] (CID 102168936) is 5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane].
What is the SMILES notation for 5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane]?
The canonical SMILES for 5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane] is Clc1cc(Cl)c2c(c1)C1(CCCCC1)CN2.
What is the InChIKey of 5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane]?
The InChIKey is DRNUVHXQKJWVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N/c14-9-6-10-12(11(15)7-9)16-8-13(10)4-2-1-3-5-13/h6-7,16H,1-5,8H2.
What are the key properties of 5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane]?
5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane] has a molecular weight of 256.18 g/mol, XLogP of 4.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane] is sourced from PubChem (CID 102168936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).