2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione

C19H23NO3 — CID 7054264

IUPAC2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione
SMILESC[C@H]1CC[C@@](C)(C(=O)CN2C(=O)c3ccccc3C2=O)C1(C)C
InChIInChI=1S/C19H23NO3/c1-12-9-10-19(4,18(12,2)3)15(21)11-20-16(22)13-7-5-6-8-14(13)17(20)23/h5-8,12H,9-11H2,1-4H3/t12-,19-/m0/s1
InChIKeySUWQWMJVXMAAJM-BUXKBTBVSA-N
MW313.40 g/mol
LogP3.31
Rot. Bonds3

About 2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione

2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione (PubChem CID 7054264) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione
PubChem CID7054264
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione
SMILESC[C@H]1CC[C@@](C)(C(=O)CN2C(=O)c3ccccc3C2=O)C1(C)C
InChIInChI=1S/C19H23NO3/c1-12-9-10-19(4,18(12,2)3)15(21)11-20-16(22)13-7-5-6-8-14(13)17(20)23/h5-8,12H,9-11H2,1-4H3/t12-,19-/m0/s1
InChIKeySUWQWMJVXMAAJM-BUXKBTBVSA-N
XLogP3.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735
2-[(1-tert-butylcyclopropyl)methyl]isoindole-1,3-dione
CID 89486758
2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606
1-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 70206323
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601411
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16559242
2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119562529
N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 51547425
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione (CID 7054264) is 2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione is C[C@H]1CC[C@@](C)(C(=O)CN2C(=O)c3ccccc3C2=O)C1(C)C.
What is the InChIKey of 2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione?
The InChIKey is SUWQWMJVXMAAJM-BUXKBTBVSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-9-10-19(4,18(12,2)3)15(21)11-20-16(22)13-7-5-6-8-14(13)17(20)23/h5-8,12H,9-11H2,1-4H3/t12-,19-/m0/s1.
What are the key properties of 2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione?
2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione has a molecular weight of 313.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 7054264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).