ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate

C20H17NO4 — CID 54737678

IUPACethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C20H17NO4/c1-2-25-20(24)16-11-21(19(23)18(16)22)17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10,17,22H,2,11H2,1H3
InChIKeyXEXWEXABTWMDIK-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.97
Rot. Bonds3

About ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate

ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 54737678) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID54737678
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Nameethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C20H17NO4/c1-2-25-20(24)16-11-21(19(23)18(16)22)17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10,17,22H,2,11H2,1H3
InChIKeyXEXWEXABTWMDIK-UHFFFAOYSA-N
XLogP2.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate (CID 54737678) is ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N(C2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is XEXWEXABTWMDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-2-25-20(24)16-11-21(19(23)18(16)22)17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10,17,22H,2,11H2,1H3.
What are the key properties of ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(9H-fluoren-9-yl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 54737678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).