N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide

C9H12N2O4 — CID 54479813

IUPACN-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide
SMILESO=CNCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O4/c12-7-10-3-5-15-6-4-11-8(13)1-2-9(11)14/h1-2,7H,3-6H2,(H,10,12)
InChIKeyWQHWZJNWXASVID-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.33
Rot. Bonds7

About N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide

N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide (PubChem CID 54479813) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide
PubChem CID54479813
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC NameN-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide
SMILESO=CNCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O4/c12-7-10-3-5-15-6-4-11-8(13)1-2-9(11)14/h1-2,7H,3-6H2,(H,10,12)
InChIKeyWQHWZJNWXASVID-UHFFFAOYSA-N
XLogP-1.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
1,1'-(Oxybis(ethane-2,1-diyl))bis(1H-pyrrole-2,5-dione)
CID 14474488
1-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-1H-pyrrole-2,5-dione
CID 22377694
N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
1-[2-(2-Aminoethoxy)ethyl]pyrrole-2,5-dione
CID 53691548
N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide
CID 90452288
2-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy)ethanaminium 2,2,2-trifluoroacetate
CID 117667170
2-[2-(2,5-Dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite
CID 129103025
N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
CID 164764333
2-[2-(2,5-Dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate
CID 19880625
N-[2-[2-(dimethylamino)ethoxy]ethyl]prop-2-enamide
CID 20310793

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide?
The IUPAC name of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide (CID 54479813) is N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide is O=CNCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide?
The InChIKey is WQHWZJNWXASVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-7-10-3-5-15-6-4-11-8(13)1-2-9(11)14/h1-2,7H,3-6H2,(H,10,12).
What are the key properties of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide?
N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide has a molecular weight of 212.20 g/mol, XLogP of -1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide is sourced from PubChem (CID 54479813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).