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

C7H10N4O2 — CID 138679780

IUPAC2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine
SMILESNC(N)=NCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H10N4O2/c8-7(9)10-3-4-11-5(12)1-2-6(11)13/h1-2H,3-4H2,(H4,8,9,10)
InChIKeyTYEGYBVQCHLGIG-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.82
Rot. Bonds3

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

2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine (PubChem CID 138679780) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine
PubChem CID138679780
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine
SMILESNC(N)=NCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H10N4O2/c8-7(9)10-3-4-11-5(12)1-2-6(11)13/h1-2H,3-4H2,(H4,8,9,10)
InChIKeyTYEGYBVQCHLGIG-UHFFFAOYSA-N
XLogP-1.82
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine (CID 138679780) is 2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine is NC(N)=NCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine?
The InChIKey is TYEGYBVQCHLGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-7(9)10-3-4-11-5(12)1-2-6(11)13/h1-2H,3-4H2,(H4,8,9,10).
What are the key properties of 2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine?
2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine has a molecular weight of 182.18 g/mol, XLogP of -1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxopyrrol-1-yl)ethyl]guanidine is sourced from PubChem (CID 138679780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).