[3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium

C7H10N3O3+ — CID 59514921

IUPAC[3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium
SMILES[NH3+]NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C7H9N3O3/c8-9-5(11)3-4-10-6(12)1-2-7(10)13/h1-2H,3-4,8H2,(H,9,11)/p+1
InChIKeyPATQAHLJQRPGRQ-UHFFFAOYSA-O
MW184.18 g/mol
LogP-2.43
Rot. Bonds3

About [3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium

[3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium (PubChem CID 59514921) has the molecular formula C7H10N3O3+ and a molecular weight of 184.18 g/mol. Its IUPAC name is [3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium.

Molecular Properties

Compound Name[3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium
PubChem CID59514921
Molecular FormulaC7H10N3O3+
Molecular Weight184.18 g/mol
Exact Mass184.07
IUPAC Name[3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium
SMILES[NH3+]NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C7H9N3O3/c8-9-5(11)3-4-10-6(12)1-2-7(10)13/h1-2H,3-4,8H2,(H,9,11)/p+1
InChIKeyPATQAHLJQRPGRQ-UHFFFAOYSA-O
XLogP-2.43
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 5-2.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium?
The IUPAC name of [3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium (CID 59514921) is [3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium.
What is the SMILES notation for [3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium?
The canonical SMILES for [3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium is [NH3+]NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of [3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium?
The InChIKey is PATQAHLJQRPGRQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9N3O3/c8-9-5(11)3-4-10-6(12)1-2-7(10)13/h1-2H,3-4,8H2,(H,9,11)/p+1.
What are the key properties of [3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium?
[3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium has a molecular weight of 184.18 g/mol, XLogP of -2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dioxopyrrol-1-yl)propanoylamino]azanium is sourced from PubChem (CID 59514921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).