N-(2,5-dioxopyrrol-1-yl)formamide

C5H4N2O3 — CID 146613750

IUPACN-(2,5-dioxopyrrol-1-yl)formamide
SMILESO=CNN1C(=O)C=CC1=O
InChIInChI=1S/C5H4N2O3/c8-3-6-7-4(9)1-2-5(7)10/h1-3H,(H,6,8)
InChIKeyDWLAYMFUERNUKC-UHFFFAOYSA-N
MW140.10 g/mol
LogP-1.43
Rot. Bonds2

About N-(2,5-dioxopyrrol-1-yl)formamide

N-(2,5-dioxopyrrol-1-yl)formamide (PubChem CID 146613750) has the molecular formula C5H4N2O3 and a molecular weight of 140.10 g/mol. Its IUPAC name is N-(2,5-dioxopyrrol-1-yl)formamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrol-1-yl)formamide
PubChem CID146613750
Molecular FormulaC5H4N2O3
Molecular Weight140.10 g/mol
Exact Mass140.02
IUPAC NameN-(2,5-dioxopyrrol-1-yl)formamide
SMILESO=CNN1C(=O)C=CC1=O
InChIInChI=1S/C5H4N2O3/c8-3-6-7-4(9)1-2-5(7)10/h1-3H,(H,6,8)
InChIKeyDWLAYMFUERNUKC-UHFFFAOYSA-N
XLogP-1.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrol-1-yl)formamide?
The IUPAC name of N-(2,5-dioxopyrrol-1-yl)formamide (CID 146613750) is N-(2,5-dioxopyrrol-1-yl)formamide.
What is the SMILES notation for N-(2,5-dioxopyrrol-1-yl)formamide?
The canonical SMILES for N-(2,5-dioxopyrrol-1-yl)formamide is O=CNN1C(=O)C=CC1=O.
What is the InChIKey of N-(2,5-dioxopyrrol-1-yl)formamide?
The InChIKey is DWLAYMFUERNUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3/c8-3-6-7-4(9)1-2-5(7)10/h1-3H,(H,6,8).
What are the key properties of N-(2,5-dioxopyrrol-1-yl)formamide?
N-(2,5-dioxopyrrol-1-yl)formamide has a molecular weight of 140.10 g/mol, XLogP of -1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrol-1-yl)formamide is sourced from PubChem (CID 146613750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).