spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride

C13H18ClN — CID 75465012

IUPACspiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
SMILESCl.c1ccc2c(c1)NCC21CCCCC1
InChIInChI=1S/C13H17N.ClH/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13;/h2-3,6-7,14H,1,4-5,8-10H2;1H
InChIKeyHBFFWXPAZNMUBR-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.74
Rot. Bonds

About spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride

spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride (PubChem CID 75465012) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride.

Molecular Properties

Compound Namespiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
PubChem CID75465012
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Namespiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
SMILESCl.c1ccc2c(c1)NCC21CCCCC1
InChIInChI=1S/C13H17N.ClH/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13;/h2-3,6-7,14H,1,4-5,8-10H2;1H
InChIKeyHBFFWXPAZNMUBR-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride?
The IUPAC name of spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride (CID 75465012) is spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride.
What is the SMILES notation for spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride?
The canonical SMILES for spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride is Cl.c1ccc2c(c1)NCC21CCCCC1.
What is the InChIKey of spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride?
The InChIKey is HBFFWXPAZNMUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.ClH/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13;/h2-3,6-7,14H,1,4-5,8-10H2;1H.
What are the key properties of spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride?
spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride has a molecular weight of 223.75 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride is sourced from PubChem (CID 75465012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).