methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate

C17H17FN2O2 — CID 3231582

IUPACmethyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCCCn1c(C(=O)OC)cc2c1ccn2-c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-3-9-20-14-8-10-19(13-6-4-12(18)5-7-13)15(14)11-16(20)17(21)22-2/h4-8,10-11H,3,9H2,1-2H3
InChIKeyDWGFNMRHMGURGK-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.77
Rot. Bonds4

About methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate

methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate (PubChem CID 3231582) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate
PubChem CID3231582
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Namemethyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCCCn1c(C(=O)OC)cc2c1ccn2-c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-3-9-20-14-8-10-19(13-6-4-12(18)5-7-13)15(14)11-16(20)17(21)22-2/h4-8,10-11H,3,9H2,1-2H3
InChIKeyDWGFNMRHMGURGK-UHFFFAOYSA-N
XLogP3.77
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate (CID 3231582) is methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate is CCCn1c(C(=O)OC)cc2c1ccn2-c1ccc(F)cc1.
What is the InChIKey of methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is DWGFNMRHMGURGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-3-9-20-14-8-10-19(13-6-4-12(18)5-7-13)15(14)11-16(20)17(21)22-2/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate?
methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 300.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3231582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).