methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate

C14H20N4O2 — CID 66456976

IUPACmethyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate
SMILESCCC1C2CNCC2CN1c1cncc(C(=O)OC)n1
InChIInChI=1S/C14H20N4O2/c1-3-12-10-5-15-4-9(10)8-18(12)13-7-16-6-11(17-13)14(19)20-2/h6-7,9-10,12,15H,3-5,8H2,1-2H3
InChIKeySKNKWWKTNNVSFY-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.70
Rot. Bonds3

About methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate

methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate (PubChem CID 66456976) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate
PubChem CID66456976
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Namemethyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate
SMILESCCC1C2CNCC2CN1c1cncc(C(=O)OC)n1
InChIInChI=1S/C14H20N4O2/c1-3-12-10-5-15-4-9(10)8-18(12)13-7-16-6-11(17-13)14(19)20-2/h6-7,9-10,12,15H,3-5,8H2,1-2H3
InChIKeySKNKWWKTNNVSFY-UHFFFAOYSA-N
XLogP0.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate (CID 66456976) is methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate is CCC1C2CNCC2CN1c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate?
The InChIKey is SKNKWWKTNNVSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-12-10-5-15-4-9(10)8-18(12)13-7-16-6-11(17-13)14(19)20-2/h6-7,9-10,12,15H,3-5,8H2,1-2H3.
What are the key properties of methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate?
methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66456976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).