7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one

C19H17FN2O — CID 155185871

IUPAC7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one
SMILESO=C1c2cc(N3C[C@H]4CNC[C@H]4C3)ccc2-c2cccc(F)c21
InChIInChI=1S/C19H17FN2O/c20-17-3-1-2-15-14-5-4-13(6-16(14)19(23)18(15)17)22-9-11-7-21-8-12(11)10-22/h1-6,11-12,21H,7-10H2/t11-,12+
InChIKeyLIRCWVVJMDWSHU-TXEJJXNPSA-N
MW308.36 g/mol
LogP2.69
Rot. Bonds1

About 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one

7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one (PubChem CID 155185871) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one.

Molecular Properties

Compound Name7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one
PubChem CID155185871
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one
SMILESO=C1c2cc(N3C[C@H]4CNC[C@H]4C3)ccc2-c2cccc(F)c21
InChIInChI=1S/C19H17FN2O/c20-17-3-1-2-15-14-5-4-13(6-16(14)19(23)18(15)17)22-9-11-7-21-8-12(11)10-22/h1-6,11-12,21H,7-10H2/t11-,12+
InChIKeyLIRCWVVJMDWSHU-TXEJJXNPSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one with MolForge

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Related Compounds

CID 11220900
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CID 224104
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CID 11177859
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CID 11381163
CID 11381163
CID 57398122
CID 57398122
CID 224107
CID 224107
CID 662622
CID 662622
CID 141729761
CID 141729761
CID 188229
CID 188229
CID 10695455
CID 10695455
CID 10835296
CID 10835296

Frequently Asked Questions

What is the IUPAC name of 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one?
The IUPAC name of 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one (CID 155185871) is 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one.
What is the SMILES notation for 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one?
The canonical SMILES for 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one is O=C1c2cc(N3C[C@H]4CNC[C@H]4C3)ccc2-c2cccc(F)c21.
What is the InChIKey of 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one?
The InChIKey is LIRCWVVJMDWSHU-TXEJJXNPSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-17-3-1-2-15-14-5-4-13(6-16(14)19(23)18(15)17)22-9-11-7-21-8-12(11)10-22/h1-6,11-12,21H,7-10H2/t11-,12+.
What are the key properties of 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one?
7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one has a molecular weight of 308.36 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one is sourced from PubChem (CID 155185871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).