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

C13H21NO3 — CID 67902923

IUPACmethyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate
SMILESCOC(=O)C=C1CC2(CCNCC2)OC1(C)C
InChIInChI=1S/C13H21NO3/c1-12(2)10(8-11(15)16-3)9-13(17-12)4-6-14-7-5-13/h8,14H,4-7,9H2,1-3H3
InChIKeyPCUAJDYODKQMAO-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.41
Rot. Bonds1

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

methyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate (PubChem CID 67902923) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate
PubChem CID67902923
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate
SMILESCOC(=O)C=C1CC2(CCNCC2)OC1(C)C
InChIInChI=1S/C13H21NO3/c1-12(2)10(8-11(15)16-3)9-13(17-12)4-6-14-7-5-13/h8,14H,4-7,9H2,1-3H3
InChIKeyPCUAJDYODKQMAO-UHFFFAOYSA-N
XLogP1.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
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 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate?
The IUPAC name of methyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate (CID 67902923) is methyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate.
What is the SMILES notation for methyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate?
The canonical SMILES for methyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate is COC(=O)C=C1CC2(CCNCC2)OC1(C)C.
What is the InChIKey of methyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate?
The InChIKey is PCUAJDYODKQMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-12(2)10(8-11(15)16-3)9-13(17-12)4-6-14-7-5-13/h8,14H,4-7,9H2,1-3H3.
What are the key properties of methyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate?
methyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate has a molecular weight of 239.31 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)acetate is sourced from PubChem (CID 67902923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).