(1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate

C15H15NO4 — CID 142436740

IUPAC(1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate
SMILESCC1(C(=O)ON2C(=O)c3ccccc3C2=O)CCCC1
InChIInChI=1S/C15H15NO4/c1-15(8-4-5-9-15)14(19)20-16-12(17)10-6-2-3-7-11(10)13(16)18/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyDUSWAUAMUMIZLA-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.32
Rot. Bonds2

About (1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate

(1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate (PubChem CID 142436740) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate
PubChem CID142436740
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate
SMILESCC1(C(=O)ON2C(=O)c3ccccc3C2=O)CCCC1
InChIInChI=1S/C15H15NO4/c1-15(8-4-5-9-15)14(19)20-16-12(17)10-6-2-3-7-11(10)13(16)18/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyDUSWAUAMUMIZLA-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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

(1,3-dioxoisoindol-2-yl) 4-methylbicyclo[2.2.2]octane-1-carboxylate
CID 153315420
2-O-(1,3-dioxoisoindol-2-yl) 1-O-(1-methylcyclohexyl) oxalate
CID 102587184
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
(1,3-dioxoisoindol-2-yl) 3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 154727003
(1,3-dioxoisoindol-2-yl) 2-bromobenzoate
CID 132508616
(1,3-dioxoisoindol-2-yl) 2-oxabicyclo[2.1.1]hexane-4-carboxylate
CID 170730481
(1,3-dioxoisoindol-2-yl) 3,3-difluorocyclobutane-1-carboxylate;ethane
CID 177047488
1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide
CID 21441264
(1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate
CID 162341549
(1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate
CID 162341521
methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 15168083

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate (CID 142436740) is (1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate is CC1(C(=O)ON2C(=O)c3ccccc3C2=O)CCCC1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate?
The InChIKey is DUSWAUAMUMIZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-15(8-4-5-9-15)14(19)20-16-12(17)10-6-2-3-7-11(10)13(16)18/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of (1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate?
(1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 142436740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).