4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine

C8H16N2O — CID 170737886

IUPAC4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine
SMILESCCN1CCNC2COCC21
InChIInChI=1S/C8H16N2O/c1-2-10-4-3-9-7-5-11-6-8(7)10/h7-9H,2-6H2,1H3
InChIKeySSXCHKVSHBICTP-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.32
Rot. Bonds1

About 4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine

4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine (PubChem CID 170737886) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine.

Molecular Properties

Compound Name4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine
PubChem CID170737886
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine
SMILESCCN1CCNC2COCC21
InChIInChI=1S/C8H16N2O/c1-2-10-4-3-9-7-5-11-6-8(7)10/h7-9H,2-6H2,1H3
InChIKeySSXCHKVSHBICTP-UHFFFAOYSA-N
XLogP-0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine?
The IUPAC name of 4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine (CID 170737886) is 4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine.
What is the SMILES notation for 4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine?
The canonical SMILES for 4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine is CCN1CCNC2COCC21.
What is the InChIKey of 4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine?
The InChIKey is SSXCHKVSHBICTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-10-4-3-9-7-5-11-6-8(7)10/h7-9H,2-6H2,1H3.
What are the key properties of 4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine?
4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine has a molecular weight of 156.23 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine is sourced from PubChem (CID 170737886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).