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

C25H30N2O3 — CID 57392851

IUPAC2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one
SMILESCN1CCC[C@H]1COc1ccc2c(c1)C(=O)c1cc(OC[C@@H]3CCCN3C)ccc1-2
InChIInChI=1S/C25H30N2O3/c1-26-11-3-5-17(26)15-29-19-7-9-21-22-10-8-20(14-24(22)25(28)23(21)13-19)30-16-18-6-4-12-27(18)2/h7-10,13-14,17-18H,3-6,11-12,15-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyMPSVSIQCCLCJPT-ROUUACIJSA-N
MW406.53 g/mol
LogP3.84
Rot. Bonds6

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

2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one (PubChem CID 57392851) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one
PubChem CID57392851
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one
SMILESCN1CCC[C@H]1COc1ccc2c(c1)C(=O)c1cc(OC[C@@H]3CCCN3C)ccc1-2
InChIInChI=1S/C25H30N2O3/c1-26-11-3-5-17(26)15-29-19-7-9-21-22-10-8-20(14-24(22)25(28)23(21)13-19)30-16-18-6-4-12-27(18)2/h7-10,13-14,17-18H,3-6,11-12,15-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyMPSVSIQCCLCJPT-ROUUACIJSA-N
XLogP3.84
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one?
The IUPAC name of 2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one (CID 57392851) is 2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one is CN1CCC[C@H]1COc1ccc2c(c1)C(=O)c1cc(OC[C@@H]3CCCN3C)ccc1-2.
What is the InChIKey of 2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one?
The InChIKey is MPSVSIQCCLCJPT-ROUUACIJSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-26-11-3-5-17(26)15-29-19-7-9-21-22-10-8-20(14-24(22)25(28)23(21)13-19)30-16-18-6-4-12-27(18)2/h7-10,13-14,17-18H,3-6,11-12,15-16H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of 2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one?
2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one has a molecular weight of 406.53 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]fluoren-9-one is sourced from PubChem (CID 57392851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).