1-(3-amino-2-oxopropyl)pyrrole-2,5-dione

C7H8N2O3 — CID 174707284

IUPAC1-(3-amino-2-oxopropyl)pyrrole-2,5-dione
SMILESNCC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O3/c8-3-5(10)4-9-6(11)1-2-7(9)12/h1-2H,3-4,8H2
InChIKeyPNZGMVDODULGJC-UHFFFAOYSA-N
MW168.15 g/mol
LogP-1.56
Rot. Bonds3

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

1-(3-amino-2-oxopropyl)pyrrole-2,5-dione (PubChem CID 174707284) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 1-(3-amino-2-oxopropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-amino-2-oxopropyl)pyrrole-2,5-dione
PubChem CID174707284
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name1-(3-amino-2-oxopropyl)pyrrole-2,5-dione
SMILESNCC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O3/c8-3-5(10)4-9-6(11)1-2-7(9)12/h1-2H,3-4,8H2
InChIKeyPNZGMVDODULGJC-UHFFFAOYSA-N
XLogP-1.56
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-1.56
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-(3-amino-2-oxopropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-amino-2-oxopropyl)pyrrole-2,5-dione (CID 174707284) is 1-(3-amino-2-oxopropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-amino-2-oxopropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-amino-2-oxopropyl)pyrrole-2,5-dione is NCC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-(3-amino-2-oxopropyl)pyrrole-2,5-dione?
The InChIKey is PNZGMVDODULGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-3-5(10)4-9-6(11)1-2-7(9)12/h1-2H,3-4,8H2.
What are the key properties of 1-(3-amino-2-oxopropyl)pyrrole-2,5-dione?
1-(3-amino-2-oxopropyl)pyrrole-2,5-dione has a molecular weight of 168.15 g/mol, XLogP of -1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-oxopropyl)pyrrole-2,5-dione is sourced from PubChem (CID 174707284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).