2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate

C9H12N2O4 — CID 68928926

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O4/c1-2-10-9(14)15-6-5-11-7(12)3-4-8(11)13/h3-4H,2,5-6H2,1H3,(H,10,14)
InChIKeyJNZRHFWYRCSSAD-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.34
Rot. Bonds4

About 2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate

2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate (PubChem CID 68928926) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate
PubChem CID68928926
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O4/c1-2-10-9(14)15-6-5-11-7(12)3-4-8(11)13/h3-4H,2,5-6H2,1H3,(H,10,14)
InChIKeyJNZRHFWYRCSSAD-UHFFFAOYSA-N
XLogP-0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-aminoethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 91667266
[N-(2-maleimidoethyl)carbamoyl]methyl ether
CID 144319251
1-[2-(2-Aminoethoxy)ethyl]pyrrole-2,5-dione
CID 53691548
2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 176433411
ethyl 2-[[(Z)-4-(ethoxycarbonylamino)-4-oxobut-2-enoyl]amino]acetate
CID 5358578
ethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
CID 17857432
(2,5-Dioxopyrrol-1-ium-1-yl)methyl acetate chloride
CID 20459705
Mal-PEG2-NH-Boc
CID 44598272
2-(2,5-dioxopyrrol-1-yl)ethyl N-propan-2-ylcarbamate
CID 53658592
2-[[4-(2-Acetyloxyethylamino)-4-oxobut-2-enoyl]amino]ethyl acetate
CID 53887683
tert-Butyl (2-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy)ethyl)carbamate
CID 54003304
N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide
CID 54479813

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate (CID 68928926) is 2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate is CCNC(=O)OCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate?
The InChIKey is JNZRHFWYRCSSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-2-10-9(14)15-6-5-11-7(12)3-4-8(11)13/h3-4H,2,5-6H2,1H3,(H,10,14).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate?
2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate has a molecular weight of 212.20 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl N-ethylcarbamate is sourced from PubChem (CID 68928926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).