(4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine

C8H16N2O — CID 66800124

IUPAC(4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine
SMILESCC1(C)CN[C@@H]2COC[C@@H]2N1
InChIInChI=1S/C8H16N2O/c1-8(2)5-9-6-3-11-4-7(6)10-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyKXELYGIPBXYGKB-RQJHMYQMSA-N
MW156.23 g/mol
LogP-0.27
Rot. Bonds

About (4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine

(4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine (PubChem CID 66800124) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine.

Molecular Properties

Compound Name(4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine
PubChem CID66800124
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine
SMILESCC1(C)CN[C@@H]2COC[C@@H]2N1
InChIInChI=1S/C8H16N2O/c1-8(2)5-9-6-3-11-4-7(6)10-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyKXELYGIPBXYGKB-RQJHMYQMSA-N
XLogP-0.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine?
The IUPAC name of (4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine (CID 66800124) is (4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine.
What is the SMILES notation for (4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine?
The canonical SMILES for (4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine is CC1(C)CN[C@@H]2COC[C@@H]2N1.
What is the InChIKey of (4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine?
The InChIKey is KXELYGIPBXYGKB-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2)5-9-6-3-11-4-7(6)10-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine?
(4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine has a molecular weight of 156.23 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-3,3-dimethyl-2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine is sourced from PubChem (CID 66800124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).