cyclohexene;4-[formyl(methyl)amino]benzoic acid

C15H19NO3 — CID 174417248

IUPACcyclohexene;4-[formyl(methyl)amino]benzoic acid
SMILESC1=CCCCC1.CN(C=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H9NO3.C6H10/c1-10(6-11)8-4-2-7(3-5-8)9(12)13;1-2-4-6-5-3-1/h2-6H,1H3,(H,12,13);1-2H,3-6H2
InChIKeyGNMJWHNPUMVMCU-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.09
Rot. Bonds3

About cyclohexene;4-[formyl(methyl)amino]benzoic acid

cyclohexene;4-[formyl(methyl)amino]benzoic acid (PubChem CID 174417248) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is cyclohexene;4-[formyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Namecyclohexene;4-[formyl(methyl)amino]benzoic acid
PubChem CID174417248
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namecyclohexene;4-[formyl(methyl)amino]benzoic acid
SMILESC1=CCCCC1.CN(C=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H9NO3.C6H10/c1-10(6-11)8-4-2-7(3-5-8)9(12)13;1-2-4-6-5-3-1/h2-6H,1H3,(H,12,13);1-2H,3-6H2
InChIKeyGNMJWHNPUMVMCU-UHFFFAOYSA-N
XLogP3.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexene;4-[formyl(methyl)amino]benzoic acid?
The IUPAC name of cyclohexene;4-[formyl(methyl)amino]benzoic acid (CID 174417248) is cyclohexene;4-[formyl(methyl)amino]benzoic acid.
What is the SMILES notation for cyclohexene;4-[formyl(methyl)amino]benzoic acid?
The canonical SMILES for cyclohexene;4-[formyl(methyl)amino]benzoic acid is C1=CCCCC1.CN(C=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of cyclohexene;4-[formyl(methyl)amino]benzoic acid?
The InChIKey is GNMJWHNPUMVMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3.C6H10/c1-10(6-11)8-4-2-7(3-5-8)9(12)13;1-2-4-6-5-3-1/h2-6H,1H3,(H,12,13);1-2H,3-6H2.
What are the key properties of cyclohexene;4-[formyl(methyl)amino]benzoic acid?
cyclohexene;4-[formyl(methyl)amino]benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;4-[formyl(methyl)amino]benzoic acid is sourced from PubChem (CID 174417248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).