spiro[cyclohexane-1,3'-indole]

C13H15N — CID 11687014

IUPACspiro[cyclohexane-1,3'-indole]
SMILESC1=Nc2ccccc2C12CCCCC2
InChIInChI=1S/C13H15N/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyWVAVALYHMUJZPG-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.60
Rot. Bonds

About spiro[cyclohexane-1,3'-indole]

spiro[cyclohexane-1,3'-indole] (PubChem CID 11687014) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is spiro[cyclohexane-1,3'-indole].

Molecular Properties

Compound Namespiro[cyclohexane-1,3'-indole]
PubChem CID11687014
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Namespiro[cyclohexane-1,3'-indole]
SMILESC1=Nc2ccccc2C12CCCCC2
InChIInChI=1S/C13H15N/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyWVAVALYHMUJZPG-UHFFFAOYSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[cyclohexane-1,3'-indole]?
The IUPAC name of spiro[cyclohexane-1,3'-indole] (CID 11687014) is spiro[cyclohexane-1,3'-indole].
What is the SMILES notation for spiro[cyclohexane-1,3'-indole]?
The canonical SMILES for spiro[cyclohexane-1,3'-indole] is C1=Nc2ccccc2C12CCCCC2.
What is the InChIKey of spiro[cyclohexane-1,3'-indole]?
The InChIKey is WVAVALYHMUJZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of spiro[cyclohexane-1,3'-indole]?
spiro[cyclohexane-1,3'-indole] has a molecular weight of 185.27 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclohexane-1,3'-indole] is sourced from PubChem (CID 11687014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).