1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C23H19FN2O3 — CID 90586212

IUPAC1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)Oc2ccccc21
InChIInChI=1S/C23H19FN2O3/c24-17-7-5-15(6-8-17)16-11-19(25-13-16)22(28)26-10-9-23(14-26)12-20(27)18-3-1-2-4-21(18)29-23/h1-8,11,13,25H,9-10,12,14H2
InChIKeyRNJLKNLXRSORGZ-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.07
Rot. Bonds2

About 1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 90586212) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID90586212
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)Oc2ccccc21
InChIInChI=1S/C23H19FN2O3/c24-17-7-5-15(6-8-17)16-11-19(25-13-16)22(28)26-10-9-23(14-26)12-20(27)18-3-1-2-4-21(18)29-23/h1-8,11,13,25H,9-10,12,14H2
InChIKeyRNJLKNLXRSORGZ-UHFFFAOYSA-N
XLogP4.07
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586302
(2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97415034
1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585914
1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586111
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
1'-(2,1,3-benzothiadiazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 71805919
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
1'-(2-iodobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757554
1'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833
1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774352
1'-[3-(3-methoxyphenyl)-1-methylpyrazole-5-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586305

Frequently Asked Questions

What is the IUPAC name of 1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 90586212) is 1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1CC2(CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)Oc2ccccc21.
What is the InChIKey of 1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is RNJLKNLXRSORGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c24-17-7-5-15(6-8-17)16-11-19(25-13-16)22(28)26-10-9-23(14-26)12-20(27)18-3-1-2-4-21(18)29-23/h1-8,11,13,25H,9-10,12,14H2.
What are the key properties of 1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 390.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 90586212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).