8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C16H13FN2O2 — CID 73335802

IUPAC8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(-c4ccco4)cc(F)cc13)CCNC2=O
InChIInChI=1S/C16H13FN2O2/c1-9-11-7-10(17)8-12(13-3-2-6-21-13)15(11)19-5-4-18-16(20)14(9)19/h2-3,6-8H,4-5H2,1H3,(H,18,20)
InChIKeyKIBQYSLTXBVHLY-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.09
Rot. Bonds1

About 8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 73335802) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID73335802
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(-c4ccco4)cc(F)cc13)CCNC2=O
InChIInChI=1S/C16H13FN2O2/c1-9-11-7-10(17)8-12(13-3-2-6-21-13)15(11)19-5-4-18-16(20)14(9)19/h2-3,6-8H,4-5H2,1H3,(H,18,20)
InChIKeyKIBQYSLTXBVHLY-UHFFFAOYSA-N
XLogP3.09
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 73335802) is 8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is Cc1c2n(c3c(-c4ccco4)cc(F)cc13)CCNC2=O.
What is the InChIKey of 8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is KIBQYSLTXBVHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-9-11-7-10(17)8-12(13-3-2-6-21-13)15(11)19-5-4-18-16(20)14(9)19/h2-3,6-8H,4-5H2,1H3,(H,18,20).
What are the key properties of 8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 284.29 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 73335802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).