(2,5-dioxopyrrol-1-yl)cyanamide

C5H3N3O2 — CID 57130435

IUPAC(2,5-dioxopyrrol-1-yl)cyanamide
SMILESN#CNN1C(=O)C=CC1=O
InChIInChI=1S/C5H3N3O2/c6-3-7-8-4(9)1-2-5(8)10/h1-2,7H
InChIKeyZAVXDLYKDMXTRQ-UHFFFAOYSA-N
MW137.10 g/mol
LogP-1.10
Rot. Bonds1

About (2,5-dioxopyrrol-1-yl)cyanamide

(2,5-dioxopyrrol-1-yl)cyanamide (PubChem CID 57130435) has the molecular formula C5H3N3O2 and a molecular weight of 137.10 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)cyanamide.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)cyanamide
PubChem CID57130435
Molecular FormulaC5H3N3O2
Molecular Weight137.10 g/mol
Exact Mass137.02
IUPAC Name(2,5-dioxopyrrol-1-yl)cyanamide
SMILESN#CNN1C(=O)C=CC1=O
InChIInChI=1S/C5H3N3O2/c6-3-7-8-4(9)1-2-5(8)10/h1-2,7H
InChIKeyZAVXDLYKDMXTRQ-UHFFFAOYSA-N
XLogP-1.10
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl)cyanamide?
The IUPAC name of (2,5-dioxopyrrol-1-yl)cyanamide (CID 57130435) is (2,5-dioxopyrrol-1-yl)cyanamide.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)cyanamide?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)cyanamide is N#CNN1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)cyanamide?
The InChIKey is ZAVXDLYKDMXTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O2/c6-3-7-8-4(9)1-2-5(8)10/h1-2,7H.
What are the key properties of (2,5-dioxopyrrol-1-yl)cyanamide?
(2,5-dioxopyrrol-1-yl)cyanamide has a molecular weight of 137.10 g/mol, XLogP of -1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl)cyanamide is sourced from PubChem (CID 57130435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).