acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium

C15H16N3O5+ — CID 170738871

IUPACacetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium
SMILESCC(=O)[N+](C)(C)c1cc(N2C(=O)C=CC2=O)cc(C(N)=O)c1O
InChIInChI=1S/C15H15N3O5/c1-8(19)18(2,3)11-7-9(6-10(14(11)22)15(16)23)17-12(20)4-5-13(17)21/h4-7H,1-3H3,(H2-,16,22,23)/p+1
InChIKeyWBOQEWHQHIJRMW-UHFFFAOYSA-O
MW318.31 g/mol
LogP0.03
Rot. Bonds3

About acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium

acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium (PubChem CID 170738871) has the molecular formula C15H16N3O5+ and a molecular weight of 318.31 g/mol. Its IUPAC name is acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium.

Molecular Properties

Compound Nameacetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium
PubChem CID170738871
Molecular FormulaC15H16N3O5+
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Nameacetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium
SMILESCC(=O)[N+](C)(C)c1cc(N2C(=O)C=CC2=O)cc(C(N)=O)c1O
InChIInChI=1S/C15H15N3O5/c1-8(19)18(2,3)11-7-9(6-10(14(11)22)15(16)23)17-12(20)4-5-13(17)21/h4-7H,1-3H3,(H2-,16,22,23)/p+1
InChIKeyWBOQEWHQHIJRMW-UHFFFAOYSA-O
XLogP0.03
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium?
The IUPAC name of acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium (CID 170738871) is acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium.
What is the SMILES notation for acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium?
The canonical SMILES for acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium is CC(=O)[N+](C)(C)c1cc(N2C(=O)C=CC2=O)cc(C(N)=O)c1O.
What is the InChIKey of acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium?
The InChIKey is WBOQEWHQHIJRMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N3O5/c1-8(19)18(2,3)11-7-9(6-10(14(11)22)15(16)23)17-12(20)4-5-13(17)21/h4-7H,1-3H3,(H2-,16,22,23)/p+1.
What are the key properties of acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium?
acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium has a molecular weight of 318.31 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-[3-carbamoyl-5-(2,5-dioxopyrrol-1-yl)-2-hydroxyphenyl]-dimethylazanium is sourced from PubChem (CID 170738871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).