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

C9H14N2O2 — CID 65191835

IUPAC1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione
SMILESCC(C)C(CN)N1C(=O)C=CC1=O
InChIInChI=1S/C9H14N2O2/c1-6(2)7(5-10)11-8(12)3-4-9(11)13/h3-4,6-7H,5,10H2,1-2H3
InChIKeyABJWRNXPIHVMDJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.11
Rot. Bonds3

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

1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione (PubChem CID 65191835) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione
PubChem CID65191835
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione
SMILESCC(C)C(CN)N1C(=O)C=CC1=O
InChIInChI=1S/C9H14N2O2/c1-6(2)7(5-10)11-8(12)3-4-9(11)13/h3-4,6-7H,5,10H2,1-2H3
InChIKeyABJWRNXPIHVMDJ-UHFFFAOYSA-N
XLogP-0.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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?
The IUPAC name of 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione (CID 65191835) is 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione is CC(C)C(CN)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione?
The InChIKey is ABJWRNXPIHVMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)7(5-10)11-8(12)3-4-9(11)13/h3-4,6-7H,5,10H2,1-2H3.
What are the key properties of 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione?
1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylbutan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 65191835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).