methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate

C11H15NO4 — CID 24978030

IUPACmethyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate
SMILESCOC(=O)/C=C1\NC2(CCCC2)COC1=O
InChIInChI=1S/C11H15NO4/c1-15-9(13)6-8-10(14)16-7-11(12-8)4-2-3-5-11/h6,12H,2-5,7H2,1H3/b8-6-
InChIKeyRSHKCIUJTXGUPY-VURMDHGXSA-N
MW225.24 g/mol
LogP0.50
Rot. Bonds1

About methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate

methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate (PubChem CID 24978030) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate
PubChem CID24978030
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate
SMILESCOC(=O)/C=C1\NC2(CCCC2)COC1=O
InChIInChI=1S/C11H15NO4/c1-15-9(13)6-8-10(14)16-7-11(12-8)4-2-3-5-11/h6,12H,2-5,7H2,1H3/b8-6-
InChIKeyRSHKCIUJTXGUPY-VURMDHGXSA-N
XLogP0.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate (CID 24978030) is methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate is COC(=O)/C=C1\NC2(CCCC2)COC1=O.
What is the InChIKey of methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate?
The InChIKey is RSHKCIUJTXGUPY-VURMDHGXSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-9(13)6-8-10(14)16-7-11(12-8)4-2-3-5-11/h6,12H,2-5,7H2,1H3/b8-6-.
What are the key properties of methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate?
methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate has a molecular weight of 225.24 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate is sourced from PubChem (CID 24978030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).