methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride

C9H16ClNO3 — CID 126791141

IUPACmethyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
SMILESCOC(=O)C1NCC12CCOCC2.Cl
InChIInChI=1S/C9H15NO3.ClH/c1-12-8(11)7-9(6-10-7)2-4-13-5-3-9;/h7,10H,2-6H2,1H3;1H
InChIKeyGMXIVBXDEWBIFM-UHFFFAOYSA-N
MW221.68 g/mol
LogP0.35
Rot. Bonds1

About methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride

methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride (PubChem CID 126791141) has the molecular formula C9H16ClNO3 and a molecular weight of 221.68 g/mol. Its IUPAC name is methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
PubChem CID126791141
Molecular FormulaC9H16ClNO3
Molecular Weight221.68 g/mol
Exact Mass221.08
IUPAC Namemethyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
SMILESCOC(=O)C1NCC12CCOCC2.Cl
InChIInChI=1S/C9H15NO3.ClH/c1-12-8(11)7-9(6-10-7)2-4-13-5-3-9;/h7,10H,2-6H2,1H3;1H
InChIKeyGMXIVBXDEWBIFM-UHFFFAOYSA-N
XLogP0.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride?
The IUPAC name of methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride (CID 126791141) is methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride is COC(=O)C1NCC12CCOCC2.Cl.
What is the InChIKey of methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride?
The InChIKey is GMXIVBXDEWBIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.ClH/c1-12-8(11)7-9(6-10-7)2-4-13-5-3-9;/h7,10H,2-6H2,1H3;1H.
What are the key properties of methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride?
methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride has a molecular weight of 221.68 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride is sourced from PubChem (CID 126791141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).