2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid

C9H12N2O4 — CID 57112487

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid
SMILESCCN(CCN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C9H12N2O4/c1-2-10(9(14)15)5-6-11-7(12)3-4-8(11)13/h3-4H,2,5-6H2,1H3,(H,14,15)
InChIKeyNKCCTONIANMQTQ-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.09
Rot. Bonds4

About 2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid

2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid (PubChem CID 57112487) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid
PubChem CID57112487
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid
SMILESCCN(CCN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C9H12N2O4/c1-2-10(9(14)15)5-6-11-7(12)3-4-8(11)13/h3-4H,2,5-6H2,1H3,(H,14,15)
InChIKeyNKCCTONIANMQTQ-UHFFFAOYSA-N
XLogP-0.09
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Ethylenebismaleimide
CID 237509
1-[2-(dimethylamino)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 10241184
1-[2-(Diethylamino)ethyl]pyrrole-2,5-dione
CID 217844
2-(2,5-Dioxopyrrol-1-yl)ethyl-trimethylazanium
CID 4115637
2-(2,5-Dioxopyrrol-1-yl)ethyl-trimethylazanium iodide
CID 12293418
2,2'-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)azanediyl)diacetic acid
CID 12968596
2-[2-[Bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;1-ethylpyrrole-2,5-dione
CID 19812782
acetic acid;1-acetyl-2H-pyrrol-5-one
CID 20077771
N-(2-carboxyethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-beta-alanine
CID 20740629
2-(2,5-Dioxopyrrol-1-yl)ethylcarbamic acid
CID 23079148
1-[2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione
CID 58435843
1-[2-[Ethyl(methyl)amino]ethyl]pyrrole-2,5-dione
CID 59243773

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid (CID 57112487) is 2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid is CCN(CCN1C(=O)C=CC1=O)C(=O)O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid?
The InChIKey is NKCCTONIANMQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-2-10(9(14)15)5-6-11-7(12)3-4-8(11)13/h3-4H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid?
2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid has a molecular weight of 212.21 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl-ethylcarbamic acid is sourced from PubChem (CID 57112487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).