ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate

C19H20N2O2 — CID 143034007

IUPACethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cncc(C2=C(c3ccccc3C)CCC2)n1
InChIInChI=1S/C19H20N2O2/c1-3-23-19(22)18-12-20-11-17(21-18)16-10-6-9-15(16)14-8-5-4-7-13(14)2/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3
InChIKeyFZHLJGGSADVAIS-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.06
Rot. Bonds4

About ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate

ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate (PubChem CID 143034007) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate
PubChem CID143034007
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nameethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cncc(C2=C(c3ccccc3C)CCC2)n1
InChIInChI=1S/C19H20N2O2/c1-3-23-19(22)18-12-20-11-17(21-18)16-10-6-9-15(16)14-8-5-4-7-13(14)2/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3
InChIKeyFZHLJGGSADVAIS-UHFFFAOYSA-N
XLogP4.06
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 143033845
6-(2-methylphenyl)pyrazine-2-carbohydrazide
CID 167450789
ethane;ethyl 6-(2-bromocyclopenten-1-yl)pyridine-2-carboxylate
CID 143033870
ethyl quinoxaline-2-carboxylate
CID 582701
ethyl 6-[2-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 87629236
ethyl 6-(dimethylamino)pyrazine-2-carboxylate
CID 23273864
ethyl 2-phenylcyclohexene-1-carboxylate
CID 15667923
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
ethyl quinoxaline-2-carboxylate;1H-pyrrole
CID 175129436
ethyl 4-(hydroxymethyl)-3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
CID 126752496
ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 123901389

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate (CID 143034007) is ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate is CCOC(=O)c1cncc(C2=C(c3ccccc3C)CCC2)n1.
What is the InChIKey of ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate?
The InChIKey is FZHLJGGSADVAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-23-19(22)18-12-20-11-17(21-18)16-10-6-9-15(16)14-8-5-4-7-13(14)2/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3.
What are the key properties of ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate?
ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 143034007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).