(1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone

C20H20N2O2 — CID 141133211

IUPAC(1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone
SMILESO=C(N1CC[C@@]2(C1)OCc1ccccc12)C1(c2ccccn2)CC1
InChIInChI=1S/C20H20N2O2/c23-18(19(8-9-19)17-7-3-4-11-21-17)22-12-10-20(14-22)16-6-2-1-5-15(16)13-24-20/h1-7,11H,8-10,12-14H2/t20-/m0/s1
InChIKeySHYHQYKSGFEXFA-FQEVSTJZSA-N
MW320.39 g/mol
LogP2.77
Rot. Bonds2

About (1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone

(1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone (PubChem CID 141133211) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone.

Molecular Properties

Compound Name(1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone
PubChem CID141133211
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone
SMILESO=C(N1CC[C@@]2(C1)OCc1ccccc12)C1(c2ccccn2)CC1
InChIInChI=1S/C20H20N2O2/c23-18(19(8-9-19)17-7-3-4-11-21-17)22-12-10-20(14-22)16-6-2-1-5-15(16)13-24-20/h1-7,11H,8-10,12-14H2/t20-/m0/s1
InChIKeySHYHQYKSGFEXFA-FQEVSTJZSA-N
XLogP2.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-pyridin-3-ylcyclobutyl)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
CID 141133219
[1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
CID 68860403
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone
CID 151908927
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-(4-thiophen-3-ylphenyl)cyclopropyl]methanone
CID 68861124
2-phenylsulfanyl-1-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]ethanone
CID 124618956
(3S)-N-(2-imidazol-1-ylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 124617607
pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone
CID 127918005
N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 126792771
N-(5-propan-2-yl-1,2-oxazol-3-yl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 127901233
(3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide
CID 124618391
(1-pyridin-2-ylcyclopropyl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone
CID 135196336

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone?
The IUPAC name of (1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone (CID 141133211) is (1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone.
What is the SMILES notation for (1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone?
The canonical SMILES for (1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone is O=C(N1CC[C@@]2(C1)OCc1ccccc12)C1(c2ccccn2)CC1.
What is the InChIKey of (1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone?
The InChIKey is SHYHQYKSGFEXFA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-18(19(8-9-19)17-7-3-4-11-21-17)22-12-10-20(14-22)16-6-2-1-5-15(16)13-24-20/h1-7,11H,8-10,12-14H2/t20-/m0/s1.
What are the key properties of (1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone?
(1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone has a molecular weight of 320.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone is sourced from PubChem (CID 141133211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).