N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide

C10H14N2O3 — CID 60975185

IUPACN-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
SMILESCCNC(=O)C(C)N1C(=O)C=C(C)C1=O
InChIInChI=1S/C10H14N2O3/c1-4-11-9(14)7(3)12-8(13)5-6(2)10(12)15/h5,7H,4H2,1-3H3,(H,11,14)
InChIKeyDBWVCSDMBNHXFT-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.17
Rot. Bonds3

About N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide

N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 60975185) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
PubChem CID60975185
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
SMILESCCNC(=O)C(C)N1C(=O)C=C(C)C1=O
InChIInChI=1S/C10H14N2O3/c1-4-11-9(14)7(3)12-8(13)5-6(2)10(12)15/h5,7H,4H2,1-3H3,(H,11,14)
InChIKeyDBWVCSDMBNHXFT-UHFFFAOYSA-N
XLogP-0.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide (CID 60975185) is N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide is CCNC(=O)C(C)N1C(=O)C=C(C)C1=O.
What is the InChIKey of N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is DBWVCSDMBNHXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-11-9(14)7(3)12-8(13)5-6(2)10(12)15/h5,7H,4H2,1-3H3,(H,11,14).
What are the key properties of N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide?
N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 210.23 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 60975185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).