methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate

C13H21NO5 — CID 89336056

IUPACmethyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESC=C(OCC)C1CCN(C(=O)OC)CC12OCCO2
InChIInChI=1S/C13H21NO5/c1-4-17-10(2)11-5-6-14(12(15)16-3)9-13(11)18-7-8-19-13/h11H,2,4-9H2,1,3H3
InChIKeyHTQALRYNLXXIJS-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.37
Rot. Bonds3

About methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate

methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate (PubChem CID 89336056) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
PubChem CID89336056
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namemethyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESC=C(OCC)C1CCN(C(=O)OC)CC12OCCO2
InChIInChI=1S/C13H21NO5/c1-4-17-10(2)11-5-6-14(12(15)16-3)9-13(11)18-7-8-19-13/h11H,2,4-9H2,1,3H3
InChIKeyHTQALRYNLXXIJS-UHFFFAOYSA-N
XLogP1.37
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-methyl-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
CID 57045191
(4S)-3,3-dimethoxy-1-methoxycarbonylpiperidine-4-carboxylic acid
CID 124637348
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
3,3-dimethoxy-1-methoxycarbonylpiperidine-4-carboxylic acid
CID 68714181
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 115269783
6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid
CID 6455069
methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 115269670
1-O-tert-butyl 4-O-ethyl 3,3-difluoropiperidine-1,4-dicarboxylate
CID 122199555
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 97449218
ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 167840317
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate
CID 110706653

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The IUPAC name of methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate (CID 89336056) is methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate is C=C(OCC)C1CCN(C(=O)OC)CC12OCCO2.
What is the InChIKey of methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The InChIKey is HTQALRYNLXXIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-4-17-10(2)11-5-6-14(12(15)16-3)9-13(11)18-7-8-19-13/h11H,2,4-9H2,1,3H3.
What are the key properties of methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate has a molecular weight of 271.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 89336056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).