methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

C11H17N3O3 — CID 118000982

IUPACmethyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCOC(=O)N1CCC2(CC1)N=C(C)N(C)C2=O
InChIInChI=1S/C11H17N3O3/c1-8-12-11(9(15)13(8)2)4-6-14(7-5-11)10(16)17-3/h4-7H2,1-3H3
InChIKeyRLGFRQJOTLPXPD-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.48
Rot. Bonds

About methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate (PubChem CID 118000982) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
PubChem CID118000982
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCOC(=O)N1CCC2(CC1)N=C(C)N(C)C2=O
InChIInChI=1S/C11H17N3O3/c1-8-12-11(9(15)13(8)2)4-6-14(7-5-11)10(16)17-3/h4-7H2,1-3H3
InChIKeyRLGFRQJOTLPXPD-UHFFFAOYSA-N
XLogP0.48
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The IUPAC name of methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate (CID 118000982) is methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate.
What is the SMILES notation for methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The canonical SMILES for methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate is COC(=O)N1CCC2(CC1)N=C(C)N(C)C2=O.
What is the InChIKey of methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The InChIKey is RLGFRQJOTLPXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-12-11(9(15)13(8)2)4-6-14(7-5-11)10(16)17-3/h4-7H2,1-3H3.
What are the key properties of methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate is sourced from PubChem (CID 118000982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).