4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine

C12H18N2O — CID 102571327

IUPAC4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
SMILESc1coc(CN2CCNC3CCCC32)c1
InChIInChI=1S/C12H18N2O/c1-4-11-12(5-1)14(7-6-13-11)9-10-3-2-8-15-10/h2-3,8,11-13H,1,4-7,9H2
InChIKeyMTDIBQMZBJQULT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.61
Rot. Bonds2

About 4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine

4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine (PubChem CID 102571327) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
PubChem CID102571327
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
SMILESc1coc(CN2CCNC3CCCC32)c1
InChIInChI=1S/C12H18N2O/c1-4-11-12(5-1)14(7-6-13-11)9-10-3-2-8-15-10/h2-3,8,11-13H,1,4-7,9H2
InChIKeyMTDIBQMZBJQULT-UHFFFAOYSA-N
XLogP1.61
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The IUPAC name of 4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine (CID 102571327) is 4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine.
What is the SMILES notation for 4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The canonical SMILES for 4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine is c1coc(CN2CCNC3CCCC32)c1.
What is the InChIKey of 4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The InChIKey is MTDIBQMZBJQULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-11-12(5-1)14(7-6-13-11)9-10-3-2-8-15-10/h2-3,8,11-13H,1,4-7,9H2.
What are the key properties of 4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine has a molecular weight of 206.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine is sourced from PubChem (CID 102571327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).