1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one

C16H11FN2O3 — CID 5331087

IUPAC1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1[nH]cc2c1CCOC2=O
InChIInChI=1S/C16H11FN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
InChIKeyATXQKLAYIZHIBL-WDZFZDKYSA-N
MW298.27 g/mol
LogP2.36
Rot. Bonds1

About 1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one

1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one (PubChem CID 5331087) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
PubChem CID5331087
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1[nH]cc2c1CCOC2=O
InChIInChI=1S/C16H11FN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
InChIKeyATXQKLAYIZHIBL-WDZFZDKYSA-N
XLogP2.36
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
The IUPAC name of 1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one (CID 5331087) is 1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one.
What is the SMILES notation for 1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
The canonical SMILES for 1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one is O=C1Nc2ccc(F)cc2/C1=C/c1[nH]cc2c1CCOC2=O.
What is the InChIKey of 1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
The InChIKey is ATXQKLAYIZHIBL-WDZFZDKYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-.
What are the key properties of 1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one has a molecular weight of 298.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one is sourced from PubChem (CID 5331087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).