2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide

C7H8N2O3 — CID 112712047

IUPAC2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(=O)c(O)co1
InChIInChI=1S/C7H8N2O3/c8-7(9)2-4-1-5(10)6(11)3-12-4/h1,3,11H,2H2,(H3,8,9)
InChIKeyIGMWSYDEXMVCTJ-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.18
Rot. Bonds2

About 2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide

2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide (PubChem CID 112712047) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide.

Molecular Properties

Compound Name2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide
PubChem CID112712047
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(=O)c(O)co1
InChIInChI=1S/C7H8N2O3/c8-7(9)2-4-1-5(10)6(11)3-12-4/h1,3,11H,2H2,(H3,8,9)
InChIKeyIGMWSYDEXMVCTJ-UHFFFAOYSA-N
XLogP-0.18
TPSA100.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide?
The IUPAC name of 2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide (CID 112712047) is 2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide.
What is the SMILES notation for 2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide?
The canonical SMILES for 2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide is [H]/N=C(\N)Cc1cc(=O)c(O)co1.
What is the InChIKey of 2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide?
The InChIKey is IGMWSYDEXMVCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-7(9)2-4-1-5(10)6(11)3-12-4/h1,3,11H,2H2,(H3,8,9).
What are the key properties of 2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide?
2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide has a molecular weight of 168.15 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide is sourced from PubChem (CID 112712047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).