1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C23H19NO3S — CID 90586111

IUPAC1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccc(-c4ccsc4)cc3)C2)Oc2ccccc21
InChIInChI=1S/C23H19NO3S/c25-20-13-23(27-21-4-2-1-3-19(20)21)10-11-24(15-23)22(26)17-7-5-16(6-8-17)18-9-12-28-14-18/h1-9,12,14H,10-11,13,15H2
InChIKeyJRPHTDIKFCCTJM-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.67
Rot. Bonds2

About 1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 90586111) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID90586111
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccc(-c4ccsc4)cc3)C2)Oc2ccccc21
InChIInChI=1S/C23H19NO3S/c25-20-13-23(27-21-4-2-1-3-19(20)21)10-11-24(15-23)22(26)17-7-5-16(6-8-17)18-9-12-28-14-18/h1-9,12,14H,10-11,13,15H2
InChIKeyJRPHTDIKFCCTJM-UHFFFAOYSA-N
XLogP4.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 90586111) is 1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1CC2(CCN(C(=O)c3ccc(-c4ccsc4)cc3)C2)Oc2ccccc21.
What is the InChIKey of 1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is JRPHTDIKFCCTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c25-20-13-23(27-21-4-2-1-3-19(20)21)10-11-24(15-23)22(26)17-7-5-16(6-8-17)18-9-12-28-14-18/h1-9,12,14H,10-11,13,15H2.
What are the key properties of 1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 389.48 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 90586111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).