2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride

C8H15ClN2O2 — CID 86812135

IUPAC2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
SMILESCl.O=C1NCC2(CCNCC2)CO1
InChIInChI=1S/C8H14N2O2.ClH/c11-7-10-5-8(6-12-7)1-3-9-4-2-8;/h9H,1-6H2,(H,10,11);1H
InChIKeyFXHWZWDRFVUSHX-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.52
Rot. Bonds

About 2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride

2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride (PubChem CID 86812135) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride.

Molecular Properties

Compound Name2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
PubChem CID86812135
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
SMILESCl.O=C1NCC2(CCNCC2)CO1
InChIInChI=1S/C8H14N2O2.ClH/c11-7-10-5-8(6-12-7)1-3-9-4-2-8;/h9H,1-6H2,(H,10,11);1H
InChIKeyFXHWZWDRFVUSHX-UHFFFAOYSA-N
XLogP0.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
The IUPAC name of 2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride (CID 86812135) is 2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride.
What is the SMILES notation for 2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
The canonical SMILES for 2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride is Cl.O=C1NCC2(CCNCC2)CO1.
What is the InChIKey of 2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
The InChIKey is FXHWZWDRFVUSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.ClH/c11-7-10-5-8(6-12-7)1-3-9-4-2-8;/h9H,1-6H2,(H,10,11);1H.
What are the key properties of 2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride has a molecular weight of 206.67 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride is sourced from PubChem (CID 86812135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).