1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione

C11H15N3O2 — CID 79100069

IUPAC1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nn2cccc2)C1=O
InChIInChI=1S/C11H15N3O2/c1-8(2)14-10(15)7-9(11(14)16)12-13-5-3-4-6-13/h3-6,8-9,12H,7H2,1-2H3
InChIKeyJBTZAHZTWJMCGU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.57
Rot. Bonds3

About 1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione

1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione (PubChem CID 79100069) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione
PubChem CID79100069
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nn2cccc2)C1=O
InChIInChI=1S/C11H15N3O2/c1-8(2)14-10(15)7-9(11(14)16)12-13-5-3-4-6-13/h3-6,8-9,12H,7H2,1-2H3
InChIKeyJBTZAHZTWJMCGU-UHFFFAOYSA-N
XLogP0.57
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione (CID 79100069) is 1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione is CC(C)N1C(=O)CC(Nn2cccc2)C1=O.
What is the InChIKey of 1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione?
The InChIKey is JBTZAHZTWJMCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(2)14-10(15)7-9(11(14)16)12-13-5-3-4-6-13/h3-6,8-9,12H,7H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione?
1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione has a molecular weight of 221.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 79100069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).