(3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

C16H19N3O2 — CID 162637925

IUPAC(3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCOC[C@@]12COC[C@@H]1CN(c1cnc3ccccc3n1)C2
InChIInChI=1S/C16H19N3O2/c1-20-10-16-9-19(7-12(16)8-21-11-16)15-6-17-13-4-2-3-5-14(13)18-15/h2-6,12H,7-11H2,1H3/t12-,16-/m0/s1
InChIKeyBMSYLKCPRPVZNL-LRDDRELGSA-N
MW285.35 g/mol
LogP1.73
Rot. Bonds3

About (3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

(3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 162637925) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID162637925
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCOC[C@@]12COC[C@@H]1CN(c1cnc3ccccc3n1)C2
InChIInChI=1S/C16H19N3O2/c1-20-10-16-9-19(7-12(16)8-21-11-16)15-6-17-13-4-2-3-5-14(13)18-15/h2-6,12H,7-11H2,1H3/t12-,16-/m0/s1
InChIKeyBMSYLKCPRPVZNL-LRDDRELGSA-N
XLogP1.73
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 162637925) is (3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is COC[C@@]12COC[C@@H]1CN(c1cnc3ccccc3n1)C2.
What is the InChIKey of (3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is BMSYLKCPRPVZNL-LRDDRELGSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-10-16-9-19(7-12(16)8-21-11-16)15-6-17-13-4-2-3-5-14(13)18-15/h2-6,12H,7-11H2,1H3/t12-,16-/m0/s1.
What are the key properties of (3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 285.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 162637925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).