tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate

C15H24N2O4 — CID 10402316

IUPACtert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESC=CCN1OC2(CCN(C(=O)OC(C)(C)C)CC2)CC1=O
InChIInChI=1S/C15H24N2O4/c1-5-8-17-12(18)11-15(21-17)6-9-16(10-7-15)13(19)20-14(2,3)4/h5H,1,6-11H2,2-4H3
InChIKeyNWZOCLZECBEGOC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.11
Rot. Bonds2

About tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 10402316) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID10402316
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESC=CCN1OC2(CCN(C(=O)OC(C)(C)C)CC2)CC1=O
InChIInChI=1S/C15H24N2O4/c1-5-8-17-12(18)11-15(21-17)6-9-16(10-7-15)13(19)20-14(2,3)4/h5H,1,6-11H2,2-4H3
InChIKeyNWZOCLZECBEGOC-UHFFFAOYSA-N
XLogP2.11
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
tert-butyl 2,4-dioxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 155577232
tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
CID 121418613
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
tert-butyl 4-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 168683869
tert-butyl 4-(2-methylbutan-2-yl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 154237182
tert-butyl 3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 176720221
4-but-3-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 53417926
tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate
CID 176766440
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl (2R)-2-formyl-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 97305329
tert-butyl (2R)-2-(hydroxymethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 94863807

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 10402316) is tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate is C=CCN1OC2(CCN(C(=O)OC(C)(C)C)CC2)CC1=O.
What is the InChIKey of tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is NWZOCLZECBEGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-8-17-12(18)11-15(21-17)6-9-16(10-7-15)13(19)20-14(2,3)4/h5H,1,6-11H2,2-4H3.
What are the key properties of tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-2-prop-2-enyl-1-oxa-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 10402316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).