1-(1-propylazetidin-3-yl)pyrrole-2,5-dione

C10H14N2O2 — CID 131043117

IUPAC1-(1-propylazetidin-3-yl)pyrrole-2,5-dione
SMILESCCCN1CC(N2C(=O)C=CC2=O)C1
InChIInChI=1S/C10H14N2O2/c1-2-5-11-6-8(7-11)12-9(13)3-4-10(12)14/h3-4,8H,2,5-7H2,1H3
InChIKeyWFGSJPZAYUOAMV-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.01
Rot. Bonds3

About 1-(1-propylazetidin-3-yl)pyrrole-2,5-dione

1-(1-propylazetidin-3-yl)pyrrole-2,5-dione (PubChem CID 131043117) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(1-propylazetidin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-propylazetidin-3-yl)pyrrole-2,5-dione
PubChem CID131043117
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(1-propylazetidin-3-yl)pyrrole-2,5-dione
SMILESCCCN1CC(N2C(=O)C=CC2=O)C1
InChIInChI=1S/C10H14N2O2/c1-2-5-11-6-8(7-11)12-9(13)3-4-10(12)14/h3-4,8H,2,5-7H2,1H3
InChIKeyWFGSJPZAYUOAMV-UHFFFAOYSA-N
XLogP0.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976367
1-(1-propylazetidin-3-yl)pyrrolidine-2,5-dione
CID 121183852
1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one
CID 23033360
(1R,5R)-3-propyl-3-azabicyclo[3.1.1]heptan-6-one
CID 98070002
(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one
CID 98070007
1-(1-propylazetidin-3-yl)imidazolidin-2-one
CID 130647808
3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976530
1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione
CID 138493592
3-amino-1-(1-propylazetidin-3-yl)pyrrolidin-2-one
CID 130671112
1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione
CID 157383581
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
1-cyclopentylpyrrole-2,5-dione;2-methyloxaziridin-3-one
CID 18439097

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylazetidin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-propylazetidin-3-yl)pyrrole-2,5-dione (CID 131043117) is 1-(1-propylazetidin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-propylazetidin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-propylazetidin-3-yl)pyrrole-2,5-dione is CCCN1CC(N2C(=O)C=CC2=O)C1.
What is the InChIKey of 1-(1-propylazetidin-3-yl)pyrrole-2,5-dione?
The InChIKey is WFGSJPZAYUOAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-5-11-6-8(7-11)12-9(13)3-4-10(12)14/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 1-(1-propylazetidin-3-yl)pyrrole-2,5-dione?
1-(1-propylazetidin-3-yl)pyrrole-2,5-dione has a molecular weight of 194.23 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylazetidin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 131043117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).