ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate

C24H38N2O5 — CID 71304228

IUPACditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
SMILESC=CCC1(CC=C)C(=O)N(C(=O)OC(C)(C)C)CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C24H38N2O5/c1-9-11-24(12-10-2)18(27)26(20(29)31-22(6,7)8)17-23(24)13-15-25(16-14-23)19(28)30-21(3,4)5/h9-10H,1-2,11-17H2,3-8H3
InChIKeyJXVRLBYHNMWBRB-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.92
Rot. Bonds4

About ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate

ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate (PubChem CID 71304228) has the molecular formula C24H38N2O5 and a molecular weight of 434.58 g/mol. Its IUPAC name is ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
PubChem CID71304228
Molecular FormulaC24H38N2O5
Molecular Weight434.58 g/mol
Exact Mass434.28
IUPAC Nameditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
SMILESC=CCC1(CC=C)C(=O)N(C(=O)OC(C)(C)C)CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C24H38N2O5/c1-9-11-24(12-10-2)18(27)26(20(29)31-22(6,7)8)17-23(24)13-15-25(16-14-23)19(28)30-21(3,4)5/h9-10H,1-2,11-17H2,3-8H3
InChIKeyJXVRLBYHNMWBRB-UHFFFAOYSA-N
XLogP4.92
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate with MolForge

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Related Compounds

(S)-tert-Butyl 3-allyl-3-methyl-2-oxopiperidine-1-carboxylate
CID 53495097
Tert-butyl 3-methyl-2-oxo-3-prop-2-enylpiperidine-1-carboxylate
CID 76047386
Tert-butyl 6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylate
CID 118389998
Tert-butyl 3,3-diallyl-2-oxopiperidine-1-carboxylate
CID 118390116
4-[1-[(1,1-Dimethylethoxy)carbonyl]-3-methyl-2-oxo-3-pyrrolidinyl]-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
CID 140836226
tert-butyl (3S)-3-methyl-2-oxo-3-prop-2-enylpiperidine-1-carboxylate;ethane
CID 144497502
Di-tert-butyl 4-allyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 71304229
Di-tert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 71304230
Tert-butyl 4-allyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 71304711
tert-butyl (4R)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 97114230
tert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 97114231
ditert-butyl (4R)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 97115119

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?
The IUPAC name of ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate (CID 71304228) is ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate.
What is the SMILES notation for ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?
The canonical SMILES for ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate is C=CCC1(CC=C)C(=O)N(C(=O)OC(C)(C)C)CC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?
The InChIKey is JXVRLBYHNMWBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O5/c1-9-11-24(12-10-2)18(27)26(20(29)31-22(6,7)8)17-23(24)13-15-25(16-14-23)19(28)30-21(3,4)5/h9-10H,1-2,11-17H2,3-8H3.
What are the key properties of ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?
ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate has a molecular weight of 434.58 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 3-oxo-4,4-bis(prop-2-enyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate is sourced from PubChem (CID 71304228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).