1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione

C17H25N3O4 — CID 158885938

IUPAC1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCC(C)C(CN)N1C(=O)C=CC1=O.CC(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C9H14N2O2.C8H11NO2/c1-6(2)7(5-10)11-8(12)3-4-9(11)13;1-6(2)5-9-7(10)3-4-8(9)11/h3-4,6-7H,5,10H2,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyJDQANKHRYGLPDJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.46
Rot. Bonds5

About 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione

1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione (PubChem CID 158885938) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione
PubChem CID158885938
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCC(C)C(CN)N1C(=O)C=CC1=O.CC(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C9H14N2O2.C8H11NO2/c1-6(2)7(5-10)11-8(12)3-4-9(11)13;1-6(2)5-9-7(10)3-4-8(9)11/h3-4,6-7H,5,10H2,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyJDQANKHRYGLPDJ-UHFFFAOYSA-N
XLogP0.46
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione (CID 158885938) is 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione is CC(C)C(CN)N1C(=O)C=CC1=O.CC(C)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione?
The InChIKey is JDQANKHRYGLPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.C8H11NO2/c1-6(2)7(5-10)11-8(12)3-4-9(11)13;1-6(2)5-9-7(10)3-4-8(9)11/h3-4,6-7H,5,10H2,1-2H3;3-4,6H,5H2,1-2H3.
What are the key properties of 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione?
1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione has a molecular weight of 335.40 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 158885938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).