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

C7H8N2O3 — CID 118485994

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide
SMILESO=CNCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O3/c10-5-8-3-4-9-6(11)1-2-7(9)12/h1-2,5H,3-4H2,(H,8,10)
InChIKeyZZSUJBLVKGEBOJ-UHFFFAOYSA-N
MW168.15 g/mol
LogP-1.34
Rot. Bonds4

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

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide (PubChem CID 118485994) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide
PubChem CID118485994
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide
SMILESO=CNCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O3/c10-5-8-3-4-9-6(11)1-2-7(9)12/h1-2,5H,3-4H2,(H,8,10)
InChIKeyZZSUJBLVKGEBOJ-UHFFFAOYSA-N
XLogP-1.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide
CID 177148966
3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 90457244
1-[2-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-(iodomethyl)phosphoryl]amino]ethyl]pyrrole-2,5-dione
CID 118426472
1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione
CID 158008507
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide
CID 43546111
4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine
CID 145076683
N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide
CID 165361548
6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid
CID 90457556
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
1-(2-phosphanylethyl)pyrrole-2,5-dione
CID 170722879
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea
CID 142400579
2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 175693527

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide (CID 118485994) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide is O=CNCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide?
The InChIKey is ZZSUJBLVKGEBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-5-8-3-4-9-6(11)1-2-7(9)12/h1-2,5H,3-4H2,(H,8,10).
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide has a molecular weight of 168.15 g/mol, XLogP of -1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide is sourced from PubChem (CID 118485994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).