methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate

C15H15NO4 — CID 15168083

IUPACmethyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(N2C(=O)c3ccccc3C2=O)CC1(C)C
InChIInChI=1S/C15H15NO4/c1-14(2)8-15(14,13(19)20-3)16-11(17)9-6-4-5-7-10(9)12(16)18/h4-7H,8H2,1-3H3
InChIKeyZLBLAWLTJPPPHD-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.62
Rot. Bonds2

About methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate

methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 15168083) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID15168083
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(N2C(=O)c3ccccc3C2=O)CC1(C)C
InChIInChI=1S/C15H15NO4/c1-14(2)8-15(14,13(19)20-3)16-11(17)9-6-4-5-7-10(9)12(16)18/h4-7H,8H2,1-3H3
InChIKeyZLBLAWLTJPPPHD-UHFFFAOYSA-N
XLogP1.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-dimethyl (1S,2R)-1-(1,3-dioxoisoindol-2-yl)cyclopropane-1,2-dicarboxylate
CID 11255119
2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione
CID 70464685
(2S)-2-(1,3-dioxoisoindol-2-yl)spiro[2.2]pentane-2-carboxylic acid
CID 175815475
2-(4-methoxycarbonyl-2-methyl-1,5-dioxo-3H-2-benzazepin-4-yl)acetic acid
CID 139822102
butyl 1-(1,3-dioxoisoindol-2-yl)cyclopropane-1-carboxylate
CID 86677371
methyl (3S)-3-methyl-1-oxo-4H-isochromene-3-carboxylate
CID 907846
2-[3-hydroxy-3-methyl-1-[4-(2-phenylethynyl)phenyl]cyclobutyl]isoindole-1,3-dione
CID 58034441
(1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate
CID 142436740
2-(3-methylazetidin-3-yl)isoindole-1,3-dione
CID 131014758
1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 123953058
methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate
CID 5282357
(1,3-dioxoisoindol-2-yl) 4-methylbicyclo[2.2.2]octane-1-carboxylate
CID 153315420

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate (CID 15168083) is methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate is COC(=O)C1(N2C(=O)c3ccccc3C2=O)CC1(C)C.
What is the InChIKey of methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is ZLBLAWLTJPPPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-14(2)8-15(14,13(19)20-3)16-11(17)9-6-4-5-7-10(9)12(16)18/h4-7H,8H2,1-3H3.
What are the key properties of methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate?
methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 15168083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).