(7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C15H22N2O2 — CID 97377941

IUPAC(7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC=CCO[C@H]1C[C@H]2CN(Cc3ccoc3)CCN2C1
InChIInChI=1S/C15H22N2O2/c1-2-6-19-15-8-14-10-16(4-5-17(14)11-15)9-13-3-7-18-12-13/h2-3,7,12,14-15H,1,4-6,8-11H2/t14-,15-/m0/s1
InChIKeyPEWSDNBMXABREM-GJZGRUSLSA-N
MW262.35 g/mol
LogP1.74
Rot. Bonds5

About (7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 97377941) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID97377941
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC=CCO[C@H]1C[C@H]2CN(Cc3ccoc3)CCN2C1
InChIInChI=1S/C15H22N2O2/c1-2-6-19-15-8-14-10-16(4-5-17(14)11-15)9-13-3-7-18-12-13/h2-3,7,12,14-15H,1,4-6,8-11H2/t14-,15-/m0/s1
InChIKeyPEWSDNBMXABREM-GJZGRUSLSA-N
XLogP1.74
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 97377941) is (7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C=CCO[C@H]1C[C@H]2CN(Cc3ccoc3)CCN2C1.
What is the InChIKey of (7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PEWSDNBMXABREM-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-6-19-15-8-14-10-16(4-5-17(14)11-15)9-13-3-7-18-12-13/h2-3,7,12,14-15H,1,4-6,8-11H2/t14-,15-/m0/s1.
What are the key properties of (7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 262.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 97377941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).