4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid

C11H15NO4 — CID 143617293

IUPAC4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid
SMILESC/C(=N\C1CC=C(C(=O)O)CC1C)OC=O
InChIInChI=1S/C11H15NO4/c1-7-5-9(11(14)15)3-4-10(7)12-8(2)16-6-13/h3,6-7,10H,4-5H2,1-2H3,(H,14,15)/b12-8+
InChIKeyHJLVRYSZSQIGGM-XYOKQWHBSA-N
MW225.24 g/mol
LogP1.39
Rot. Bonds3

About 4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid

4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid (PubChem CID 143617293) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid
PubChem CID143617293
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid
SMILESC/C(=N\C1CC=C(C(=O)O)CC1C)OC=O
InChIInChI=1S/C11H15NO4/c1-7-5-9(11(14)15)3-4-10(7)12-8(2)16-6-13/h3,6-7,10H,4-5H2,1-2H3,(H,14,15)/b12-8+
InChIKeyHJLVRYSZSQIGGM-XYOKQWHBSA-N
XLogP1.39
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid?
The IUPAC name of 4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid (CID 143617293) is 4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid.
What is the SMILES notation for 4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid?
The canonical SMILES for 4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid is C/C(=N\C1CC=C(C(=O)O)CC1C)OC=O.
What is the InChIKey of 4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid?
The InChIKey is HJLVRYSZSQIGGM-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7-5-9(11(14)15)3-4-10(7)12-8(2)16-6-13/h3,6-7,10H,4-5H2,1-2H3,(H,14,15)/b12-8+.
What are the key properties of 4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid?
4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-formyloxyethylideneamino)-5-methylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 143617293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).