1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one

C25H30N2O3 — CID 70189484

IUPAC1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
SMILESO=C1c2cccc(OCCN3CCCC3)c2-c2cccc(OCCN3CCCC3)c21
InChIInChI=1S/C25H30N2O3/c28-25-20-8-6-9-21(29-17-15-26-11-1-2-12-26)23(20)19-7-5-10-22(24(19)25)30-18-16-27-13-3-4-14-27/h5-10H,1-4,11-18H2
InChIKeyCKNNKVFMDYHNRK-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.85
Rot. Bonds8

About 1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one

1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one (PubChem CID 70189484) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one.

Molecular Properties

Compound Name1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
PubChem CID70189484
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
SMILESO=C1c2cccc(OCCN3CCCC3)c2-c2cccc(OCCN3CCCC3)c21
InChIInChI=1S/C25H30N2O3/c28-25-20-8-6-9-21(29-17-15-26-11-1-2-12-26)23(20)19-7-5-10-22(24(19)25)30-18-16-27-13-3-4-14-27/h5-10H,1-4,11-18H2
InChIKeyCKNNKVFMDYHNRK-UHFFFAOYSA-N
XLogP3.85
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-4-butoxy-2,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70191902
1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one
CID 70191890
4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189465
2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 162165445
4-methoxy-5-(2-piperidin-1-ylethoxy)-2-propylfluoren-9-one
CID 174392258
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
2-butoxy-5-[3-(diethylamino)propoxy]fluoren-9-one;2-butoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 174391219
3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one
CID 82056047
2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione
CID 67872717
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one?
The IUPAC name of 1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one (CID 70189484) is 1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one.
What is the SMILES notation for 1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one?
The canonical SMILES for 1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one is O=C1c2cccc(OCCN3CCCC3)c2-c2cccc(OCCN3CCCC3)c21.
What is the InChIKey of 1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one?
The InChIKey is CKNNKVFMDYHNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-25-20-8-6-9-21(29-17-15-26-11-1-2-12-26)23(20)19-7-5-10-22(24(19)25)30-18-16-27-13-3-4-14-27/h5-10H,1-4,11-18H2.
What are the key properties of 1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one?
1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one has a molecular weight of 406.53 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one is sourced from PubChem (CID 70189484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).