4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen

C8H12N2O3 — CID 143783592

IUPAC4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen
SMILESNC(=O)CCCN1C(=O)C=CC1=O.[H][H]
InChIInChI=1S/C8H10N2O3.H2/c9-6(11)2-1-5-10-7(12)3-4-8(10)13;/h3-4H,1-2,5H2,(H2,9,11);1H
InChIKeyYLAIPFIBKDWWNQ-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.58
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen

4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen (PubChem CID 143783592) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen
PubChem CID143783592
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen
SMILESNC(=O)CCCN1C(=O)C=CC1=O.[H][H]
InChIInChI=1S/C8H10N2O3.H2/c9-6(11)2-1-5-10-7(12)3-4-8(10)13;/h3-4H,1-2,5H2,(H2,9,11);1H
InChIKeyYLAIPFIBKDWWNQ-UHFFFAOYSA-N
XLogP-0.58
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen (CID 143783592) is 4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen is NC(=O)CCCN1C(=O)C=CC1=O.[H][H].
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen?
The InChIKey is YLAIPFIBKDWWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.H2/c9-6(11)2-1-5-10-7(12)3-4-8(10)13;/h3-4H,1-2,5H2,(H2,9,11);1H.
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen?
4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen has a molecular weight of 184.20 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)butanamide;molecular hydrogen is sourced from PubChem (CID 143783592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).