(4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one

C11H12FNO2 — CID 143991525

IUPAC(4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one
SMILESCN1CC2=C(C1=O)/C(F)=C(O)\C=C/CC2
InChIInChI=1S/C11H12FNO2/c1-13-6-7-4-2-3-5-8(14)10(12)9(7)11(13)15/h3,5,14H,2,4,6H2,1H3/b5-3-,10-8-
InChIKeyRDVBPMRQMZGPSG-PGNVZPTMSA-N
MW209.22 g/mol
LogP1.84
Rot. Bonds

About (4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one

(4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one (PubChem CID 143991525) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one.

Molecular Properties

Compound Name(4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one
PubChem CID143991525
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one
SMILESCN1CC2=C(C1=O)/C(F)=C(O)\C=C/CC2
InChIInChI=1S/C11H12FNO2/c1-13-6-7-4-2-3-5-8(14)10(12)9(7)11(13)15/h3,5,14H,2,4,6H2,1H3/b5-3-,10-8-
InChIKeyRDVBPMRQMZGPSG-PGNVZPTMSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one?
The IUPAC name of (4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one (CID 143991525) is (4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one.
What is the SMILES notation for (4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one?
The canonical SMILES for (4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one is CN1CC2=C(C1=O)/C(F)=C(O)\C=C/CC2.
What is the InChIKey of (4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one?
The InChIKey is RDVBPMRQMZGPSG-PGNVZPTMSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-13-6-7-4-2-3-5-8(14)10(12)9(7)11(13)15/h3,5,14H,2,4,6H2,1H3/b5-3-,10-8-.
What are the key properties of (4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one?
(4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one has a molecular weight of 209.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4-fluoro-5-hydroxy-2-methyl-8,9-dihydro-1H-cycloocta[c]pyrrol-3-one is sourced from PubChem (CID 143991525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).