[(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol

C19H20FNO2 — CID 72850572

IUPAC[(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
SMILESOC[C@]12COc3ccccc3[C@H]1CN(Cc1ccccc1F)C2
InChIInChI=1S/C19H20FNO2/c20-17-7-3-1-5-14(17)9-21-10-16-15-6-2-4-8-18(15)23-13-19(16,11-21)12-22/h1-8,16,22H,9-13H2/t16-,19-/m1/s1
InChIKeyFOEZEUYCRUJZBY-VQIMIIECSA-N
MW313.37 g/mol
LogP2.80
Rot. Bonds3

About [(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol

[(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 72850572) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is [(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
PubChem CID72850572
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name[(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
SMILESOC[C@]12COc3ccccc3[C@H]1CN(Cc1ccccc1F)C2
InChIInChI=1S/C19H20FNO2/c20-17-7-3-1-5-14(17)9-21-10-16-15-6-2-4-8-18(15)23-13-19(16,11-21)12-22/h1-8,16,22H,9-13H2/t16-,19-/m1/s1
InChIKeyFOEZEUYCRUJZBY-VQIMIIECSA-N
XLogP2.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol (CID 72850572) is [(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol is OC[C@]12COc3ccccc3[C@H]1CN(Cc1ccccc1F)C2.
What is the InChIKey of [(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is FOEZEUYCRUJZBY-VQIMIIECSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-17-7-3-1-5-14(17)9-21-10-16-15-6-2-4-8-18(15)23-13-19(16,11-21)12-22/h1-8,16,22H,9-13H2/t16-,19-/m1/s1.
What are the key properties of [(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol?
[(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 313.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,9bS)-2-[(2-fluorophenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 72850572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).