3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide

C8H10N2O3 — CID 21299489

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O3/c1-9-6(11)4-5-10-7(12)2-3-8(10)13/h2-3H,4-5H2,1H3,(H,9,11)
InChIKeyMETLSDBKHAUBOS-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.95
Rot. Bonds3

About 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide

3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide (PubChem CID 21299489) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
PubChem CID21299489
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O3/c1-9-6(11)4-5-10-7(12)2-3-8(10)13/h2-3H,4-5H2,1H3,(H,9,11)
InChIKeyMETLSDBKHAUBOS-UHFFFAOYSA-N
XLogP-0.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.95
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 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide (CID 21299489) is 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide is CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide?
The InChIKey is METLSDBKHAUBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-9-6(11)4-5-10-7(12)2-3-8(10)13/h2-3H,4-5H2,1H3,(H,9,11).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide?
3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide has a molecular weight of 182.18 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 21299489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).