tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C18H26N2O5 — CID 86709471

IUPACtert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC1OC(=O)C=C1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C18H26N2O5/c1-12-13(11-14(21)24-12)20-10-7-18(15(20)22)5-8-19(9-6-18)16(23)25-17(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyZOKCZQLPNDDQQU-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.07
Rot. Bonds1

About tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 86709471) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID86709471
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nametert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC1OC(=O)C=C1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C18H26N2O5/c1-12-13(11-14(21)24-12)20-10-7-18(15(20)22)5-8-19(9-6-18)16(23)25-17(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyZOKCZQLPNDDQQU-UHFFFAOYSA-N
XLogP2.07
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

tert-butyl 3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 59688382
tert-butyl 2-[4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 46208234
tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 171627167
tert-butyl 9-methyl-11-oxo-3-azaspiro[5.5]undec-9-ene-3-carboxylate
CID 177462092
tert-butyl (3S)-3-(hydroxymethyl)-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 97312173
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 2-oxo-6,6a-dihydro-4H-furo[2,3-c]pyrrole-5-carboxylate
CID 102588517
tert-butyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 14371816
tert-butyl 2-(5-methylsulfonyl-2-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 121483419
tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
CID 59312198
tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate
CID 130449344
tert-butyl (6R)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate
CID 130449338

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 86709471) is tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CC1OC(=O)C=C1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O.
What is the InChIKey of tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is ZOKCZQLPNDDQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-12-13(11-14(21)24-12)20-10-7-18(15(20)22)5-8-19(9-6-18)16(23)25-17(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 86709471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).