tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate

C16H26N2O3 — CID 97114231

IUPACtert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESC=CC[C@@H]1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H26N2O3/c1-5-6-12-13(19)17-11-16(12)7-9-18(10-8-16)14(20)21-15(2,3)4/h5,12H,1,6-11H2,2-4H3,(H,17,19)/t12-/m1/s1
InChIKeyIMLXYPHSHFACFN-GFCCVEGCSA-N
MW294.39 g/mol
LogP2.33
Rot. Bonds2

About tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 97114231) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID97114231
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESC=CC[C@@H]1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H26N2O3/c1-5-6-12-13(19)17-11-16(12)7-9-18(10-8-16)14(20)21-15(2,3)4/h5,12H,1,6-11H2,2-4H3,(H,17,19)/t12-/m1/s1
InChIKeyIMLXYPHSHFACFN-GFCCVEGCSA-N
XLogP2.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-[(cyclopent-3-ene-1-carbonylamino)methyl]-4-methylpiperidine-1-carboxylate
CID 86788331
1-[2-(N-Boc-piperidin-4-yl)ethyl]-3-propen-2yl-(2-pyrrolidinone)
CID 86749014
4-(3-Methyl-2-oxo-3-pyrrolidinyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
CID 122454126
tert-butyl (3S,4R)-3-(tert-butylcarbamoyl)-3-methyl-4-prop-2-enylpyrrolidine-1-carboxylate
CID 147146003
Tert-butyl 4-[1-(tert-butylamino)-1-oxohex-5-en-2-yl]piperidine-1-carboxylate
CID 166949572
Tert-butyl 6-methyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 168209440
Tert-butyl 3-[2-(pent-4-enoylamino)ethyl]piperidine-1-carboxylate
CID 60275514
Di-tert-butyl 4,4-diallyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 71304228
Di-tert-butyl 4-allyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 71304229
Tert-butyl 3-oxo-4-propyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 71304665
Tert-butyl 4-allyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 71304711
Tert-butyl 4-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 71304719

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 97114231) is tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate is C=CC[C@@H]1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is IMLXYPHSHFACFN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-6-12-13(19)17-11-16(12)7-9-18(10-8-16)14(20)21-15(2,3)4/h5,12H,1,6-11H2,2-4H3,(H,17,19)/t12-/m1/s1.
What are the key properties of tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 97114231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).