4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide

C11H16N2O4 — CID 70834289

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide
SMILESO=C(CCCN1C(=O)C=CC1=O)NCCCO
InChIInChI=1S/C11H16N2O4/c14-8-2-6-12-9(15)3-1-7-13-10(16)4-5-11(13)17/h4-5,14H,1-3,6-8H2,(H,12,15)
InChIKeyTURAZNQZWBWMRN-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.81
Rot. Bonds7

About 4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide

4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide (PubChem CID 70834289) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide
PubChem CID70834289
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide
SMILESO=C(CCCN1C(=O)C=CC1=O)NCCCO
InChIInChI=1S/C11H16N2O4/c14-8-2-6-12-9(15)3-1-7-13-10(16)4-5-11(13)17/h4-5,14H,1-3,6-8H2,(H,12,15)
InChIKeyTURAZNQZWBWMRN-UHFFFAOYSA-N
XLogP-0.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-N-(3-hydroxypropyl)butanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide (CID 70834289) is 4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide is O=C(CCCN1C(=O)C=CC1=O)NCCCO.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide?
The InChIKey is TURAZNQZWBWMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-8-2-6-12-9(15)3-1-7-13-10(16)4-5-11(13)17/h4-5,14H,1-3,6-8H2,(H,12,15).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide?
4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide has a molecular weight of 240.26 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide is sourced from PubChem (CID 70834289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).