prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

C11H17NO4 — CID 91987552

IUPACprop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESC=CCOC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H17NO4/c1-2-7-14-10(13)12-5-3-11(4-6-12)15-8-9-16-11/h2H,1,3-9H2
InChIKeyOJGXFYMKTNOVDS-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.15
Rot. Bonds2

About prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 91987552) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID91987552
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameprop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESC=CCOC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H17NO4/c1-2-7-14-10(13)12-5-3-11(4-6-12)15-8-9-16-11/h2H,1,3-9H2
InChIKeyOJGXFYMKTNOVDS-UHFFFAOYSA-N
XLogP1.15
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (CID 91987552) is prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is C=CCOC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is OJGXFYMKTNOVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-7-14-10(13)12-5-3-11(4-6-12)15-8-9-16-11/h2H,1,3-9H2.
What are the key properties of prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 91987552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).