[1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone

C24H25NO2 — CID 68860403

IUPAC[1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
SMILESO=C(N1CCC2(C1)OCc1ccccc12)C1(c2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C24H25NO2/c26-22(23(11-12-23)20-9-7-18(8-10-20)17-5-6-17)25-14-13-24(16-25)21-4-2-1-3-19(21)15-27-24/h1-4,7-10,17H,5-6,11-16H2
InChIKeyBOBYBMUIAZXLCU-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.25
Rot. Bonds3

About [1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone

[1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone (PubChem CID 68860403) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is [1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone.

Molecular Properties

Compound Name[1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
PubChem CID68860403
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name[1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
SMILESO=C(N1CCC2(C1)OCc1ccccc12)C1(c2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C24H25NO2/c26-22(23(11-12-23)20-9-7-18(8-10-20)17-5-6-17)25-14-13-24(16-25)21-4-2-1-3-19(21)15-27-24/h1-4,7-10,17H,5-6,11-16H2
InChIKeyBOBYBMUIAZXLCU-UHFFFAOYSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-(4-thiophen-3-ylphenyl)cyclopropyl]methanone
CID 68861124
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone
CID 151908927
(1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone
CID 141133211
(1-pyridin-3-ylcyclobutyl)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
CID 141133219
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895
ethyl 4-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]piperidine-1-carboxylate
CID 66661864
1'-[1-(4-cyclobutylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66991988
2-phenylsulfanyl-1-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]ethanone
CID 124618956
spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-carboxylic acid
CID 59320740
N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 126792771
1'-[1-[4-(4-hydroxyoxan-4-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662760
4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]benzonitrile
CID 66662420

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone?
The IUPAC name of [1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone (CID 68860403) is [1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone.
What is the SMILES notation for [1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone?
The canonical SMILES for [1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone is O=C(N1CCC2(C1)OCc1ccccc12)C1(c2ccc(C3CC3)cc2)CC1.
What is the InChIKey of [1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone?
The InChIKey is BOBYBMUIAZXLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c26-22(23(11-12-23)20-9-7-18(8-10-20)17-5-6-17)25-14-13-24(16-25)21-4-2-1-3-19(21)15-27-24/h1-4,7-10,17H,5-6,11-16H2.
What are the key properties of [1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone?
[1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone has a molecular weight of 359.47 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone is sourced from PubChem (CID 68860403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).