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

C13H18N2O4 — CID 23033360

IUPAC1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one
SMILESCCCN1OC1=O.O=C1C=CC(=O)N1C1CCCC1
InChIInChI=1S/C9H11NO2.C4H7NO2/c11-8-5-6-9(12)10(8)7-3-1-2-4-7;1-2-3-5-4(6)7-5/h5-7H,1-4H2;2-3H2,1H3
InChIKeyZSPQFVUJRZJTSB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.62
Rot. Bonds3

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

1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one (PubChem CID 23033360) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one.

Molecular Properties

Compound Name1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one
PubChem CID23033360
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one
SMILESCCCN1OC1=O.O=C1C=CC(=O)N1C1CCCC1
InChIInChI=1S/C9H11NO2.C4H7NO2/c11-8-5-6-9(12)10(8)7-3-1-2-4-7;1-2-3-5-4(6)7-5/h5-7H,1-4H2;2-3H2,1H3
InChIKeyZSPQFVUJRZJTSB-UHFFFAOYSA-N
XLogP1.62
TPSA69.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.62
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-methyloxaziridin-3-one
CID 18439097
1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976367
1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione
CID 157383581
1-cyclobutylpyrrole-2,5-dione;1-cyclopropylpyrrole-2,5-dione
CID 159672189
1-(1-propylazetidin-3-yl)pyrrole-2,5-dione
CID 131043117
1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione
CID 138493592
1-(4-chlorocyclohexyl)pyrrole-2,5-dione
CID 22988981
1-[3-(2,5-dioxopyrrol-1-yl)-3-ethylcyclohexyl]pyrrole-2,5-dione
CID 68537647
3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976530
1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene
CID 24939025
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
1-cyclohexylpyrrole-2,5-dione;1H-indene
CID 174803812

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one?
The IUPAC name of 1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one (CID 23033360) is 1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one.
What is the SMILES notation for 1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one?
The canonical SMILES for 1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one is CCCN1OC1=O.O=C1C=CC(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one?
The InChIKey is ZSPQFVUJRZJTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C4H7NO2/c11-8-5-6-9(12)10(8)7-3-1-2-4-7;1-2-3-5-4(6)7-5/h5-7H,1-4H2;2-3H2,1H3.
What are the key properties of 1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one?
1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one has a molecular weight of 266.30 g/mol, XLogP of 1.62, 3 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-propyloxaziridin-3-one is sourced from PubChem (CID 23033360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).