methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride

C9H18ClNO2Si — CID 155970494

IUPACmethyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride
SMILESCOC(=O)C1C[Si]2(CCCC2)CN1.Cl
InChIInChI=1S/C9H17NO2Si.ClH/c1-12-9(11)8-6-13(7-10-8)4-2-3-5-13;/h8,10H,2-7H2,1H3;1H
InChIKeyRVXKVMJRDOCSPA-UHFFFAOYSA-N
MW235.79 g/mol
LogP1.33
Rot. Bonds1

About methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride

methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride (PubChem CID 155970494) has the molecular formula C9H18ClNO2Si and a molecular weight of 235.79 g/mol. Its IUPAC name is methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride
PubChem CID155970494
Molecular FormulaC9H18ClNO2Si
Molecular Weight235.79 g/mol
Exact Mass235.08
IUPAC Namemethyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride
SMILESCOC(=O)C1C[Si]2(CCCC2)CN1.Cl
InChIInChI=1S/C9H17NO2Si.ClH/c1-12-9(11)8-6-13(7-10-8)4-2-3-5-13;/h8,10H,2-7H2,1H3;1H
InChIKeyRVXKVMJRDOCSPA-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.79
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate
CID 131482119
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methyl (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylate;hydrochloride
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methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride
CID 53410499
methyl (2S,4R)-4-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 168976255
methyl (2S,4R)-4-methylsulfanylpyrrolidine-2-carboxylate;hydrochloride
CID 14036226
methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate
CID 163224942
methyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
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CID 178103396

Frequently Asked Questions

What is the IUPAC name of methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride?
The IUPAC name of methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride (CID 155970494) is methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride is COC(=O)C1C[Si]2(CCCC2)CN1.Cl.
What is the InChIKey of methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride?
The InChIKey is RVXKVMJRDOCSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2Si.ClH/c1-12-9(11)8-6-13(7-10-8)4-2-3-5-13;/h8,10H,2-7H2,1H3;1H.
What are the key properties of methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride?
methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride has a molecular weight of 235.79 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride is sourced from PubChem (CID 155970494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).