2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide

C11H16N2O3 — CID 139747993

IUPAC2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide
SMILESCCCC1=C(CCC)C(=O)N(C(N)=O)C1=O
InChIInChI=1S/C11H16N2O3/c1-3-5-7-8(6-4-2)10(15)13(9(7)14)11(12)16/h3-6H2,1-2H3,(H2,12,16)
InChIKeyNDBNKCPEAUMVTE-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.33
Rot. Bonds4

About 2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide

2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide (PubChem CID 139747993) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide
PubChem CID139747993
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide
SMILESCCCC1=C(CCC)C(=O)N(C(N)=O)C1=O
InChIInChI=1S/C11H16N2O3/c1-3-5-7-8(6-4-2)10(15)13(9(7)14)11(12)16/h3-6H2,1-2H3,(H2,12,16)
InChIKeyNDBNKCPEAUMVTE-UHFFFAOYSA-N
XLogP1.33
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.33
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 2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide?
The IUPAC name of 2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide (CID 139747993) is 2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide.
What is the SMILES notation for 2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide?
The canonical SMILES for 2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide is CCCC1=C(CCC)C(=O)N(C(N)=O)C1=O.
What is the InChIKey of 2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide?
The InChIKey is NDBNKCPEAUMVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-5-7-8(6-4-2)10(15)13(9(7)14)11(12)16/h3-6H2,1-2H3,(H2,12,16).
What are the key properties of 2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide?
2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-3,4-dipropylpyrrole-1-carboxamide is sourced from PubChem (CID 139747993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).