3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one

C28H25NO4 — CID 154838480

IUPAC3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one
SMILESO=C1OC(c2ccccc2)Cc2cc(C(=O)N3CCC4(CCc5ccccc5O4)C3)ccc21
InChIInChI=1S/C28H25NO4/c30-26(29-15-14-28(18-29)13-12-20-8-4-5-9-24(20)33-28)21-10-11-23-22(16-21)17-25(32-27(23)31)19-6-2-1-3-7-19/h1-11,16,25H,12-15,17-18H2
InChIKeyGYCWMTYQQPGACX-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.75
Rot. Bonds2

About 3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one

3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one (PubChem CID 154838480) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is 3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one
PubChem CID154838480
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC Name3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one
SMILESO=C1OC(c2ccccc2)Cc2cc(C(=O)N3CCC4(CCc5ccccc5O4)C3)ccc21
InChIInChI=1S/C28H25NO4/c30-26(29-15-14-28(18-29)13-12-20-8-4-5-9-24(20)33-28)21-10-11-23-22(16-21)17-25(32-27(23)31)19-6-2-1-3-7-19/h1-11,16,25H,12-15,17-18H2
InChIKeyGYCWMTYQQPGACX-UHFFFAOYSA-N
XLogP4.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one?
The IUPAC name of 3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one (CID 154838480) is 3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one?
The canonical SMILES for 3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one is O=C1OC(c2ccccc2)Cc2cc(C(=O)N3CCC4(CCc5ccccc5O4)C3)ccc21.
What is the InChIKey of 3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one?
The InChIKey is GYCWMTYQQPGACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO4/c30-26(29-15-14-28(18-29)13-12-20-8-4-5-9-24(20)33-28)21-10-11-23-22(16-21)17-25(32-27(23)31)19-6-2-1-3-7-19/h1-11,16,25H,12-15,17-18H2.
What are the key properties of 3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one?
3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one has a molecular weight of 439.51 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 154838480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).