3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride

C6H11ClN2O2 — CID 146675782

IUPAC3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride
SMILESCl.O=C1NC2(CCNC2)CO1
InChIInChI=1S/C6H10N2O2.ClH/c9-5-8-6(4-10-5)1-2-7-3-6;/h7H,1-4H2,(H,8,9);1H
InChIKeyQDRJKYGXBLQKLB-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.12
Rot. Bonds

About 3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride

3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride (PubChem CID 146675782) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride.

Molecular Properties

Compound Name3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride
PubChem CID146675782
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride
SMILESCl.O=C1NC2(CCNC2)CO1
InChIInChI=1S/C6H10N2O2.ClH/c9-5-8-6(4-10-5)1-2-7-3-6;/h7H,1-4H2,(H,8,9);1H
InChIKeyQDRJKYGXBLQKLB-UHFFFAOYSA-N
XLogP-0.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride?
The IUPAC name of 3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride (CID 146675782) is 3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride.
What is the SMILES notation for 3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride?
The canonical SMILES for 3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride is Cl.O=C1NC2(CCNC2)CO1.
What is the InChIKey of 3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride?
The InChIKey is QDRJKYGXBLQKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.ClH/c9-5-8-6(4-10-5)1-2-7-3-6;/h7H,1-4H2,(H,8,9);1H.
What are the key properties of 3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride?
3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-1,7-diazaspiro[4.4]nonan-2-one;hydrochloride is sourced from PubChem (CID 146675782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).