ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate

C13H19N3O2 — CID 114080486

IUPACethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1(C)c1nccnc1C
InChIInChI=1S/C13H19N3O2/c1-4-18-12(17)10-7-14-8-13(10,3)11-9(2)15-5-6-16-11/h5-6,10,14H,4,7-8H2,1-3H3
InChIKeyRXYBUKSFWLBGCI-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.83
Rot. Bonds3

About ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate

ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate (PubChem CID 114080486) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate
PubChem CID114080486
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1(C)c1nccnc1C
InChIInChI=1S/C13H19N3O2/c1-4-18-12(17)10-7-14-8-13(10,3)11-9(2)15-5-6-16-11/h5-6,10,14H,4,7-8H2,1-3H3
InChIKeyRXYBUKSFWLBGCI-UHFFFAOYSA-N
XLogP0.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methyl-4-pyridin-4-ylpyrrolidine-3-carboxylate
CID 114486700
ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate
CID 97357628
ethyl 4-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate
CID 114486741
ethyl 2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170756026
ethyl 4-ethyl-4-(4-methylphenyl)pyrrolidine-3-carboxylate
CID 114486738
ethyl 4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylate
CID 114834625
ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate
CID 114486764
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate
CID 114486788
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate
CID 23000180
ethyl (3S,3'R)-5-oxospiro[2,4-dihydro-1,4-benzoxazepine-3,4'-pyrrolidine]-3'-carboxylate
CID 92592959

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate (CID 114080486) is ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate is CCOC(=O)C1CNCC1(C)c1nccnc1C.
What is the InChIKey of ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate?
The InChIKey is RXYBUKSFWLBGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-18-12(17)10-7-14-8-13(10,3)11-9(2)15-5-6-16-11/h5-6,10,14H,4,7-8H2,1-3H3.
What are the key properties of ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate?
ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 114080486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).