3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide

C10H14N2O3 — CID 58331275

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c1-7(2)11-8(13)5-6-12-9(14)3-4-10(12)15/h3-4,7H,5-6H2,1-2H3,(H,11,13)
InChIKeyPMRPYMROKIJRER-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.17
Rot. Bonds4

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

3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 58331275) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide
PubChem CID58331275
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c1-7(2)11-8(13)5-6-12-9(14)3-4-10(12)15/h3-4,7H,5-6H2,1-2H3,(H,11,13)
InChIKeyPMRPYMROKIJRER-UHFFFAOYSA-N
XLogP-0.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.17
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-propan-2-ylpropanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide (CID 58331275) is 3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is PMRPYMROKIJRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)11-8(13)5-6-12-9(14)3-4-10(12)15/h3-4,7H,5-6H2,1-2H3,(H,11,13).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide?
3-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 210.23 g/mol, XLogP of -0.17, 4 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-propan-2-ylpropanamide is sourced from PubChem (CID 58331275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).