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

C27H34N2O3 — CID 19594655

IUPAC1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one
SMILESCCC(Oc1cccc2c1C(=O)c1cccc(OC(CC)C3CCCN3)c1-2)C1CCCN1
InChIInChI=1S/C27H34N2O3/c1-3-21(19-11-7-15-28-19)31-23-13-6-10-18-25(23)17-9-5-14-24(26(17)27(18)30)32-22(4-2)20-12-8-16-29-20/h5-6,9-10,13-14,19-22,28-29H,3-4,7-8,11-12,15-16H2,1-2H3
InChIKeyDQZRPHUJWOEKSU-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.72
Rot. Bonds8

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

1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one (PubChem CID 19594655) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one.

Molecular Properties

Compound Name1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one
PubChem CID19594655
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one
SMILESCCC(Oc1cccc2c1C(=O)c1cccc(OC(CC)C3CCCN3)c1-2)C1CCCN1
InChIInChI=1S/C27H34N2O3/c1-3-21(19-11-7-15-28-19)31-23-13-6-10-18-25(23)17-9-5-14-24(26(17)27(18)30)32-22(4-2)20-12-8-16-29-20/h5-6,9-10,13-14,19-22,28-29H,3-4,7-8,11-12,15-16H2,1-2H3
InChIKeyDQZRPHUJWOEKSU-UHFFFAOYSA-N
XLogP4.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one?
The IUPAC name of 1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one (CID 19594655) is 1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one.
What is the SMILES notation for 1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one?
The canonical SMILES for 1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one is CCC(Oc1cccc2c1C(=O)c1cccc(OC(CC)C3CCCN3)c1-2)C1CCCN1.
What is the InChIKey of 1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one?
The InChIKey is DQZRPHUJWOEKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-3-21(19-11-7-15-28-19)31-23-13-6-10-18-25(23)17-9-5-14-24(26(17)27(18)30)32-22(4-2)20-12-8-16-29-20/h5-6,9-10,13-14,19-22,28-29H,3-4,7-8,11-12,15-16H2,1-2H3.
What are the key properties of 1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one?
1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one has a molecular weight of 434.58 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(1-pyrrolidin-2-ylpropoxy)fluoren-9-one is sourced from PubChem (CID 19594655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).