[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate

C15H22N2O2 — CID 21147893

IUPAC[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1cnccn1
InChIInChI=1S/C15H22N2O2/c1-10(2)12-5-4-11(3)8-14(12)19-15(18)13-9-16-6-7-17-13/h6-7,9-12,14H,4-5,8H2,1-3H3/t11-,12+,14-/m0/s1
InChIKeyDSYXXMGEDRPADJ-SCRDCRAPSA-N
MW262.35 g/mol
LogP3.09
Rot. Bonds3

About [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate

[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate (PubChem CID 21147893) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate
PubChem CID21147893
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1cnccn1
InChIInChI=1S/C15H22N2O2/c1-10(2)12-5-4-11(3)8-14(12)19-15(18)13-9-16-6-7-17-13/h6-7,9-12,14H,4-5,8H2,1-3H3/t11-,12+,14-/m0/s1
InChIKeyDSYXXMGEDRPADJ-SCRDCRAPSA-N
XLogP3.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate?
The IUPAC name of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate (CID 21147893) is [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate.
What is the SMILES notation for [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate?
The canonical SMILES for [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate is CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1cnccn1.
What is the InChIKey of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate?
The InChIKey is DSYXXMGEDRPADJ-SCRDCRAPSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)12-5-4-11(3)8-14(12)19-15(18)13-9-16-6-7-17-13/h6-7,9-12,14H,4-5,8H2,1-3H3/t11-,12+,14-/m0/s1.
What are the key properties of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate?
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate is sourced from PubChem (CID 21147893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).