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

C20H19FN2O — CID 148873296

IUPAC7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one
SMILESCN1C[C@@H]2CN(c3ccc4c(c3)C(=O)c3c(F)cccc3-4)C[C@@H]2C1
InChIInChI=1S/C20H19FN2O/c1-22-8-12-10-23(11-13(12)9-22)14-5-6-15-16-3-2-4-18(21)19(16)20(24)17(15)7-14/h2-7,12-13H,8-11H2,1H3/t12-,13+
InChIKeyPBPIHVFJISKYDY-BETUJISGSA-N
MW322.38 g/mol
LogP3.03
Rot. Bonds1

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

7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one (PubChem CID 148873296) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one.

Molecular Properties

Compound Name7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one
PubChem CID148873296
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one
SMILESCN1C[C@@H]2CN(c3ccc4c(c3)C(=O)c3c(F)cccc3-4)C[C@@H]2C1
InChIInChI=1S/C20H19FN2O/c1-22-8-12-10-23(11-13(12)9-22)14-5-6-15-16-3-2-4-18(21)19(16)20(24)17(15)7-14/h2-7,12-13H,8-11H2,1H3/t12-,13+
InChIKeyPBPIHVFJISKYDY-BETUJISGSA-N
XLogP3.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-Amino-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
CID 11220900
2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
CID 11338557
2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
CID 57399775
2-[(1S,5S)-6-(111C)methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-7-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
CID 90670746
2,7-Bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
CID 11177859
2-[7-Methyl-3,7-diazabicyclo[3.3.0]octan-3-yl]-fluoren-9-one
CID 11381163
(3aR,6aR)-1-[40-(5-Methyl-hexahydro-pyrrolo[3,4-b]pyrrol-1-yl)-biphenyl-4-yl]-ethanone
CID 24743474
1-[3-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]phenyl]ethanone
CID 24743546
2-[(1S,5S)-6-Methyl-3,6-diazabicyclo[3.2.0]hept-3-yl]-fluoren-9-one
CID 57401546
2-Dimethylamino-9-fluorenone
CID 224105
2-Diethylamino-9-fluorenone
CID 224107
3-Phenyl-7-(1-pyrrolidinyl)-1-indanone
CID 2768747

Frequently Asked Questions

What is the IUPAC name of 7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one?
The IUPAC name of 7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one (CID 148873296) is 7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one.
What is the SMILES notation for 7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one?
The canonical SMILES for 7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one is CN1C[C@@H]2CN(c3ccc4c(c3)C(=O)c3c(F)cccc3-4)C[C@@H]2C1.
What is the InChIKey of 7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one?
The InChIKey is PBPIHVFJISKYDY-BETUJISGSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-22-8-12-10-23(11-13(12)9-22)14-5-6-15-16-3-2-4-18(21)19(16)20(24)17(15)7-14/h2-7,12-13H,8-11H2,1H3/t12-,13+.
What are the key properties of 7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one?
7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one has a molecular weight of 322.38 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-fluorofluoren-9-one is sourced from PubChem (CID 148873296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).