methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate

C11H12FNO3 — CID 139036055

IUPACmethyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1F)C(=O)C(C)(C)C2
InChIInChI=1S/C11H12FNO3/c1-11(2)4-5-6(9(11)14)7(12)8(13-5)10(15)16-3/h13H,4H2,1-3H3
InChIKeyCNAZATBRYQFIBM-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.71
Rot. Bonds1

About methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate

methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate (PubChem CID 139036055) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate
PubChem CID139036055
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Namemethyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1F)C(=O)C(C)(C)C2
InChIInChI=1S/C11H12FNO3/c1-11(2)4-5-6(9(11)14)7(12)8(13-5)10(15)16-3/h13H,4H2,1-3H3
InChIKeyCNAZATBRYQFIBM-UHFFFAOYSA-N
XLogP1.71
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate (CID 139036055) is methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate is COC(=O)c1[nH]c2c(c1F)C(=O)C(C)(C)C2.
What is the InChIKey of methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is CNAZATBRYQFIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-11(2)4-5-6(9(11)14)7(12)8(13-5)10(15)16-3/h13H,4H2,1-3H3.
What are the key properties of methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate?
methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 225.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5,5-dimethyl-4-oxo-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 139036055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).