(7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C19H23FN2O2 — CID 98815806

IUPAC(7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)o1
InChIInChI=1S/C19H23FN2O2/c1-14-5-6-18(23-14)12-21-7-8-22-13-19(10-16(22)11-21)24-17-4-2-3-15(20)9-17/h2-6,9,16,19H,7-8,10-13H2,1H3/t16-,19+/m1/s1
InChIKeyJJGSEOORIJZVGU-APWZRJJASA-N
MW330.40 g/mol
LogP3.06
Rot. Bonds4

About (7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 98815806) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID98815806
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)o1
InChIInChI=1S/C19H23FN2O2/c1-14-5-6-18(23-14)12-21-7-8-22-13-19(10-16(22)11-21)24-17-4-2-3-15(20)9-17/h2-6,9,16,19H,7-8,10-13H2,1H3/t16-,19+/m1/s1
InChIKeyJJGSEOORIJZVGU-APWZRJJASA-N
XLogP3.06
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 98815806) is (7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Cc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)o1.
What is the InChIKey of (7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is JJGSEOORIJZVGU-APWZRJJASA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-5-6-18(23-14)12-21-7-8-22-13-19(10-16(22)11-21)24-17-4-2-3-15(20)9-17/h2-6,9,16,19H,7-8,10-13H2,1H3/t16-,19+/m1/s1.
What are the key properties of (7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 330.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aR)-7-(3-fluorophenoxy)-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 98815806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).