methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate

C12H19NO3 — CID 67712847

IUPACmethyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate
SMILESCOC(=O)/C=C1\COC2(CCN(C)CC2)C1
InChIInChI=1S/C12H19NO3/c1-13-5-3-12(4-6-13)8-10(9-16-12)7-11(14)15-2/h7H,3-6,8-9H2,1-2H3/b10-7-
InChIKeyLOXYQQVQNXRTCA-YFHOEESVSA-N
MW225.29 g/mol
LogP0.97
Rot. Bonds1

About methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate

methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate (PubChem CID 67712847) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate
PubChem CID67712847
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namemethyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate
SMILESCOC(=O)/C=C1\COC2(CCN(C)CC2)C1
InChIInChI=1S/C12H19NO3/c1-13-5-3-12(4-6-13)8-10(9-16-12)7-11(14)15-2/h7H,3-6,8-9H2,1-2H3/b10-7-
InChIKeyLOXYQQVQNXRTCA-YFHOEESVSA-N
XLogP0.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate (CID 67712847) is methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate is COC(=O)/C=C1\COC2(CCN(C)CC2)C1.
What is the InChIKey of methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate?
The InChIKey is LOXYQQVQNXRTCA-YFHOEESVSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13-5-3-12(4-6-13)8-10(9-16-12)7-11(14)15-2/h7H,3-6,8-9H2,1-2H3/b10-7-.
What are the key properties of methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate?
methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate has a molecular weight of 225.29 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate is sourced from PubChem (CID 67712847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).