methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate

C8H12N2O2 — CID 15208286

IUPACmethyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate
SMILESCOC(=O)C1(C)CC2(CC2)N=N1
InChIInChI=1S/C8H12N2O2/c1-7(6(11)12-2)5-8(3-4-8)10-9-7/h3-5H2,1-2H3
InChIKeyIMGUSOZEWKKOJE-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.31
Rot. Bonds1

About methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate

methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate (PubChem CID 15208286) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate
PubChem CID15208286
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namemethyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate
SMILESCOC(=O)C1(C)CC2(CC2)N=N1
InChIInChI=1S/C8H12N2O2/c1-7(6(11)12-2)5-8(3-4-8)10-9-7/h3-5H2,1-2H3
InChIKeyIMGUSOZEWKKOJE-UHFFFAOYSA-N
XLogP1.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate?
The IUPAC name of methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate (CID 15208286) is methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate.
What is the SMILES notation for methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate?
The canonical SMILES for methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate is COC(=O)C1(C)CC2(CC2)N=N1.
What is the InChIKey of methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate?
The InChIKey is IMGUSOZEWKKOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7(6(11)12-2)5-8(3-4-8)10-9-7/h3-5H2,1-2H3.
What are the key properties of methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate?
methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate has a molecular weight of 168.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4,5-diazaspiro[2.4]hept-4-ene-6-carboxylate is sourced from PubChem (CID 15208286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).