1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C27H23NO3 — CID 66661970

IUPAC1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1OC2(CCN(C(=O)C3(c4cccc(-c5ccccc5)c4)CC3)C2)c2ccccc21
InChIInChI=1S/C27H23NO3/c29-24-22-11-4-5-12-23(22)27(31-24)15-16-28(18-27)25(30)26(13-14-26)21-10-6-9-20(17-21)19-7-2-1-3-8-19/h1-12,17H,13-16,18H2
InChIKeyMVSYRSUBDLPRGM-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.68
Rot. Bonds3

About 1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 66661970) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID66661970
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1OC2(CCN(C(=O)C3(c4cccc(-c5ccccc5)c4)CC3)C2)c2ccccc21
InChIInChI=1S/C27H23NO3/c29-24-22-11-4-5-12-23(22)27(31-24)15-16-28(18-27)25(30)26(13-14-26)21-10-6-9-20(17-21)19-7-2-1-3-8-19/h1-12,17H,13-16,18H2
InChIKeyMVSYRSUBDLPRGM-UHFFFAOYSA-N
XLogP4.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of 1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 66661970) is 1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for 1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for 1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is O=C1OC2(CCN(C(=O)C3(c4cccc(-c5ccccc5)c4)CC3)C2)c2ccccc21.
What is the InChIKey of 1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is MVSYRSUBDLPRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c29-24-22-11-4-5-12-23(22)27(31-24)15-16-28(18-27)25(30)26(13-14-26)21-10-6-9-20(17-21)19-7-2-1-3-8-19/h1-12,17H,13-16,18H2.
What are the key properties of 1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 409.49 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(3-phenylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 66661970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).