1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one

C20H21NO — CID 144897023

IUPAC1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one
SMILESCC1(C)C(C)(C)C12c1ccccc1C(=O)N2c1ccccc1
InChIInChI=1S/C20H21NO/c1-18(2)19(3,4)20(18)16-13-9-8-12-15(16)17(22)21(20)14-10-6-5-7-11-14/h5-13H,1-4H3
InChIKeyVVBFXUVYQDIVGD-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.61
Rot. Bonds1

About 1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one

1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one (PubChem CID 144897023) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one.

Molecular Properties

Compound Name1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one
PubChem CID144897023
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one
SMILESCC1(C)C(C)(C)C12c1ccccc1C(=O)N2c1ccccc1
InChIInChI=1S/C20H21NO/c1-18(2)19(3,4)20(18)16-13-9-8-12-15(16)17(22)21(20)14-10-6-5-7-11-14/h5-13H,1-4H3
InChIKeyVVBFXUVYQDIVGD-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-phenyl-3-phenylsulfanylisoindol-1-one
CID 86101888
(3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one
CID 7000102
3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one
CID 71327705
[4-[1-(4-cyanatophenyl)-3-oxo-2-phenylisoindol-1-yl]phenyl] cyanate
CID 141498623
acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium
CID 146166147
3,3-dimethyl-2-oxidoisoindol-1-one
CID 172579170
(3S)-3-(4-methoxyanilino)-2-(4-methoxyphenyl)-3-phenylisoindol-1-one
CID 41022145
4-(aminomethyl)-3,3-dimethyl-2-phenyl-4H-isoquinolin-1-one
CID 11778428
3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one
CID 4247568
(3S)-3-hydroxy-2-(4-nitrophenyl)-3-phenylisoindol-1-one
CID 40548725
[4-[2-(4-methoxyphenyl)-3,3'-dioxo-1,1'-spirobi[isoindole]-2'-yl]phenyl] acetate
CID 89397450
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]-2-phenylisoindol-1-one
CID 139447254

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one?
The IUPAC name of 1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one (CID 144897023) is 1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one.
What is the SMILES notation for 1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one?
The canonical SMILES for 1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one is CC1(C)C(C)(C)C12c1ccccc1C(=O)N2c1ccccc1.
What is the InChIKey of 1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one?
The InChIKey is VVBFXUVYQDIVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-18(2)19(3,4)20(18)16-13-9-8-12-15(16)17(22)21(20)14-10-6-5-7-11-14/h5-13H,1-4H3.
What are the key properties of 1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one?
1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one has a molecular weight of 291.39 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one is sourced from PubChem (CID 144897023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).