2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one

C21H22N2O3 — CID 11371549

IUPAC2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one
SMILESO=C1c2cc(O[C@H]3CCNC3)ccc2-c2ccc(O[C@H]3CCNC3)cc21
InChIInChI=1S/C21H22N2O3/c24-21-19-9-13(25-15-5-7-22-11-15)1-3-17(19)18-4-2-14(10-20(18)21)26-16-6-8-23-12-16/h1-4,9-10,15-16,22-23H,5-8,11-12H2/t15-,16-/m0/s1
InChIKeyISOSQJHRAFCPLJ-HOTGVXAUSA-N
MW350.42 g/mol
LogP2.38
Rot. Bonds4

About 2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one

2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one (PubChem CID 11371549) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one
PubChem CID11371549
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one
SMILESO=C1c2cc(O[C@H]3CCNC3)ccc2-c2ccc(O[C@H]3CCNC3)cc21
InChIInChI=1S/C21H22N2O3/c24-21-19-9-13(25-15-5-7-22-11-15)1-3-17(19)18-4-2-14(10-20(18)21)26-16-6-8-23-12-16/h1-4,9-10,15-16,22-23H,5-8,11-12H2/t15-,16-/m0/s1
InChIKeyISOSQJHRAFCPLJ-HOTGVXAUSA-N
XLogP2.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one?
The IUPAC name of 2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one (CID 11371549) is 2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one is O=C1c2cc(O[C@H]3CCNC3)ccc2-c2ccc(O[C@H]3CCNC3)cc21.
What is the InChIKey of 2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one?
The InChIKey is ISOSQJHRAFCPLJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-21-19-9-13(25-15-5-7-22-11-15)1-3-17(19)18-4-2-14(10-20(18)21)26-16-6-8-23-12-16/h1-4,9-10,15-16,22-23H,5-8,11-12H2/t15-,16-/m0/s1.
What are the key properties of 2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one?
2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one has a molecular weight of 350.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[[(3S)-pyrrolidin-3-yl]oxy]fluoren-9-one is sourced from PubChem (CID 11371549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).