tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate

C13H22N2O3 — CID 102329527

IUPACtert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate
SMILESCCC(=O)C1=CN(C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O3/c1-6-11(16)10-9-14(5)7-8-15(10)12(17)18-13(2,3)4/h9H,6-8H2,1-5H3
InChIKeyUNSQBTGCJWADAL-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.99
Rot. Bonds2

About tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate

tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate (PubChem CID 102329527) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate
PubChem CID102329527
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate
SMILESCCC(=O)C1=CN(C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O3/c1-6-11(16)10-9-14(5)7-8-15(10)12(17)18-13(2,3)4/h9H,6-8H2,1-5H3
InChIKeyUNSQBTGCJWADAL-UHFFFAOYSA-N
XLogP1.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl (4S)-4-methyl-6-propanoyl-3,4-dihydro-2H-quinoline-1-carboxylate
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1-O-tert-butyl 4-O-ethyl 2,3-dihydropyrrole-1,4-dicarboxylate
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tert-butyl 4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-5-carboxylate
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4-O-tert-butyl 5-O-(2-methylpropyl) 1-O-phenyl 2,3-dihydropyrazine-1,4,5-tricarboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate (CID 102329527) is tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate is CCC(=O)C1=CN(C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate?
The InChIKey is UNSQBTGCJWADAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-6-11(16)10-9-14(5)7-8-15(10)12(17)18-13(2,3)4/h9H,6-8H2,1-5H3.
What are the key properties of tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate?
tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-6-propanoyl-2,3-dihydropyrazine-1-carboxylate is sourced from PubChem (CID 102329527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).