prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

C11H17NO5 — CID 163217035

IUPACprop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESC=CCOC(=O)N1CCC2(CC1O)OCCO2
InChIInChI=1S/C11H17NO5/c1-2-5-15-10(14)12-4-3-11(8-9(12)13)16-6-7-17-11/h2,9,13H,1,3-8H2
InChIKeyGFBCVEKMBCAUQE-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.47
Rot. Bonds2

About prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 163217035) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID163217035
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Nameprop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESC=CCOC(=O)N1CCC2(CC1O)OCCO2
InChIInChI=1S/C11H17NO5/c1-2-5-15-10(14)12-4-3-11(8-9(12)13)16-6-7-17-11/h2,9,13H,1,3-8H2
InChIKeyGFBCVEKMBCAUQE-UHFFFAOYSA-N
XLogP0.47
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate
CID 19915005
4-methyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 114421064
bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 139678210
8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate
CID 15123244
6-O-tert-butyl 2-O-prop-2-enyl 7-hydroxy-2,6-diazaspiro[3.4]octane-2,6-dicarboxylate
CID 169199515
prop-2-enyl 3-methoxy-8-thia-2-azaspiro[4.5]decane-2-carboxylate
CID 164873390
tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 58442877
(7S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylic acid
CID 97301654
3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
CID 104774851
prop-2-enyl (1R,5S)-3-hydroxy-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 167722616
prop-2-enyl (1S,6S,8S)-5-methoxy-11-oxa-4-azatricyclo[6.2.1.01,6]undecane-4-carboxylate
CID 164787980
2-O-(3-methylbut-2-enyl) 1-O-prop-2-enyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 10956492

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (CID 163217035) is prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is C=CCOC(=O)N1CCC2(CC1O)OCCO2.
What is the InChIKey of prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is GFBCVEKMBCAUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-5-15-10(14)12-4-3-11(8-9(12)13)16-6-7-17-11/h2,9,13H,1,3-8H2.
What are the key properties of prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 163217035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).