spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride

C12H16ClNO — CID 75525916

IUPACspiro[1,2-dihydroindole-3,4'-oxane];hydrochloride
SMILESCl.c1ccc2c(c1)NCC21CCOCC1
InChIInChI=1S/C12H15NO.ClH/c1-2-4-11-10(3-1)12(9-13-11)5-7-14-8-6-12;/h1-4,13H,5-9H2;1H
InChIKeyLZHOPFJQMLGBCB-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.58
Rot. Bonds

About spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride

spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride (PubChem CID 75525916) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride.

Molecular Properties

Compound Namespiro[1,2-dihydroindole-3,4'-oxane];hydrochloride
PubChem CID75525916
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Namespiro[1,2-dihydroindole-3,4'-oxane];hydrochloride
SMILESCl.c1ccc2c(c1)NCC21CCOCC1
InChIInChI=1S/C12H15NO.ClH/c1-2-4-11-10(3-1)12(9-13-11)5-7-14-8-6-12;/h1-4,13H,5-9H2;1H
InChIKeyLZHOPFJQMLGBCB-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride?
The IUPAC name of spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride (CID 75525916) is spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride.
What is the SMILES notation for spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride?
The canonical SMILES for spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride is Cl.c1ccc2c(c1)NCC21CCOCC1.
What is the InChIKey of spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride?
The InChIKey is LZHOPFJQMLGBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-2-4-11-10(3-1)12(9-13-11)5-7-14-8-6-12;/h1-4,13H,5-9H2;1H.
What are the key properties of spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride?
spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindole-3,4'-oxane];hydrochloride is sourced from PubChem (CID 75525916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).