1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one

C11H14N2O4 — CID 18439097

IUPAC1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one
SMILESCN1OC1=O.O=C1C=CC(=O)N1C1CCCC1
InChIInChI=1S/C9H11NO2.C2H3NO2/c11-8-5-6-9(12)10(8)7-3-1-2-4-7;1-3-2(4)5-3/h5-7H,1-4H2;1H3
InChIKeyGFTYPAUSZIBNPM-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.84
Rot. Bonds1

About 1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one

1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one (PubChem CID 18439097) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one.

Molecular Properties

Compound Name1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one
PubChem CID18439097
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one
SMILESCN1OC1=O.O=C1C=CC(=O)N1C1CCCC1
InChIInChI=1S/C9H11NO2.C2H3NO2/c11-8-5-6-9(12)10(8)7-3-1-2-4-7;1-3-2(4)5-3/h5-7H,1-4H2;1H3
InChIKeyGFTYPAUSZIBNPM-UHFFFAOYSA-N
XLogP0.84
TPSA69.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one
CID 23033360
1-cyclobutylpyrrole-2,5-dione;1-cyclopropylpyrrole-2,5-dione
CID 159672189
1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione
CID 157383581
1-(4-chlorocyclohexyl)pyrrole-2,5-dione
CID 22988981
1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976367
1-cyclooctyl-3-methylpyrrole-2,5-dione
CID 43236233
1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene
CID 24939025
1-cyclohexylpyrrole-2,5-dione;1H-indene
CID 174803812
1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione
CID 140609910
1-(oxiran-2-yl)pyrrole-2,5-dione
CID 164778847
1-(1-propylazetidin-3-yl)pyrrole-2,5-dione
CID 131043117
1-[[(13R)-8,13-bis(2,5-dioxopyrrol-1-yl)-17-methyl-3-bicyclo[16.1.0]nonadecanyl]methyl]pyrrole-2,5-dione
CID 154973997

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one?
The IUPAC name of 1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one (CID 18439097) is 1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one.
What is the SMILES notation for 1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one?
The canonical SMILES for 1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one is CN1OC1=O.O=C1C=CC(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one?
The InChIKey is GFTYPAUSZIBNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H3NO2/c11-8-5-6-9(12)10(8)7-3-1-2-4-7;1-3-2(4)5-3/h5-7H,1-4H2;1H3.
What are the key properties of 1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one?
1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one has a molecular weight of 238.24 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one is sourced from PubChem (CID 18439097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).