methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

C11H16N2O4 — CID 57156375

IUPACmethyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)N1CC(C)C2(OCCO2)C(C#N)C1
InChIInChI=1S/C11H16N2O4/c1-8-6-13(10(14)15-2)7-9(5-12)11(8)16-3-4-17-11/h8-9H,3-4,6-7H2,1-2H3
InChIKeyUXHZCGAFJJALCT-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.59
Rot. Bonds

About methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 57156375) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID57156375
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)N1CC(C)C2(OCCO2)C(C#N)C1
InChIInChI=1S/C11H16N2O4/c1-8-6-13(10(14)15-2)7-9(5-12)11(8)16-3-4-17-11/h8-9H,3-4,6-7H2,1-2H3
InChIKeyUXHZCGAFJJALCT-UHFFFAOYSA-N
XLogP0.59
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

methyl 2-cyano-5-azaspiro[2.4]heptane-5-carboxylate
CID 84657361
methyl 3-methylsulfonylazetidine-1-carboxylate
CID 176706532
methyl 3-cyano-4-oxopyrrolidine-1-carboxylate
CID 83846023
methyl 3-aminoazetidine-1-carboxylate
CID 18331259
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551
methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate
CID 146514103
methyl 4-anilino-4-cyano-3-methylpiperidine-1-carboxylate
CID 3019712
tert-butyl (3S,5R)-4-cyano-3,5-dimethylpiperidine-1-carboxylate
CID 178097443
methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate
CID 83905819
dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate
CID 139085135
methyl (3R)-5-cyano-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 93485983
tert-butyl (3S,4R)-3-cyano-4-methylpyrrolidine-1-carboxylate
CID 58030017

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (CID 57156375) is methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is COC(=O)N1CC(C)C2(OCCO2)C(C#N)C1.
What is the InChIKey of methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is UXHZCGAFJJALCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8-6-13(10(14)15-2)7-9(5-12)11(8)16-3-4-17-11/h8-9H,3-4,6-7H2,1-2H3.
What are the key properties of methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyano-10-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 57156375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).