2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one

C23H26N2O3 — CID 11406297

IUPAC2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one
SMILESCN1CC[C@H](Oc2ccc3c(c2)C(=O)c2cc(O[C@H]4CCN(C)C4)ccc2-3)C1
InChIInChI=1S/C23H26N2O3/c1-24-9-7-17(13-24)27-15-3-5-19-20-6-4-16(28-18-8-10-25(2)14-18)12-22(20)23(26)21(19)11-15/h3-6,11-12,17-18H,7-10,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyQUHMNQWOCWGXSJ-ROUUACIJSA-N
MW378.47 g/mol
LogP3.06
Rot. Bonds4

About 2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one

2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one (PubChem CID 11406297) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one
PubChem CID11406297
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one
SMILESCN1CC[C@H](Oc2ccc3c(c2)C(=O)c2cc(O[C@H]4CCN(C)C4)ccc2-3)C1
InChIInChI=1S/C23H26N2O3/c1-24-9-7-17(13-24)27-15-3-5-19-20-6-4-16(28-18-8-10-25(2)14-18)12-22(20)23(26)21(19)11-15/h3-6,11-12,17-18H,7-10,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyQUHMNQWOCWGXSJ-ROUUACIJSA-N
XLogP3.06
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one?
The IUPAC name of 2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one (CID 11406297) is 2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one is CN1CC[C@H](Oc2ccc3c(c2)C(=O)c2cc(O[C@H]4CCN(C)C4)ccc2-3)C1.
What is the InChIKey of 2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one?
The InChIKey is QUHMNQWOCWGXSJ-ROUUACIJSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-24-9-7-17(13-24)27-15-3-5-19-20-6-4-16(28-18-8-10-25(2)14-18)12-22(20)23(26)21(19)11-15/h3-6,11-12,17-18H,7-10,13-14H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of 2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one?
2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one has a molecular weight of 378.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one is sourced from PubChem (CID 11406297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).