(3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C20H18N2O3 — CID 66662056

IUPAC(3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4ccncc4)CC3)C2)c2ccccc21
InChIInChI=1S/C20H18N2O3/c23-17-15-3-1-2-4-16(15)20(25-17)9-12-22(13-20)18(24)19(7-8-19)14-5-10-21-11-6-14/h1-6,10-11H,7-9,12-13H2/t20-/m0/s1
InChIKeyYYIAYXMANDNDOT-FQEVSTJZSA-N
MW334.38 g/mol
LogP2.41
Rot. Bonds2

About (3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

(3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 66662056) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID66662056
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4ccncc4)CC3)C2)c2ccccc21
InChIInChI=1S/C20H18N2O3/c23-17-15-3-1-2-4-16(15)20(25-17)9-12-22(13-20)18(24)19(7-8-19)14-5-10-21-11-6-14/h1-6,10-11H,7-9,12-13H2/t20-/m0/s1
InChIKeyYYIAYXMANDNDOT-FQEVSTJZSA-N
XLogP2.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of (3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 66662056) is (3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for (3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for (3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is O=C1O[C@]2(CCN(C(=O)C3(c4ccncc4)CC3)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is YYIAYXMANDNDOT-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-17-15-3-1-2-4-16(15)20(25-17)9-12-22(13-20)18(24)19(7-8-19)14-5-10-21-11-6-14/h1-6,10-11H,7-9,12-13H2/t20-/m0/s1.
What are the key properties of (3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
(3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 334.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 66662056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).