ethyl 4-(cyclobutanecarboximidoyl)benzoate

C14H17NO2 — CID 90334516

IUPACethyl 4-(cyclobutanecarboximidoyl)benzoate
SMILES[H]/N=C(/c1ccc(C(=O)OCC)cc1)C1CCC1
InChIInChI=1S/C14H17NO2/c1-2-17-14(16)12-8-6-11(7-9-12)13(15)10-4-3-5-10/h6-10,15H,2-5H2,1H3/b15-13+
InChIKeyASUVXSZAHGXWJG-FYWRMAATSA-N
MW231.30 g/mol
LogP3.03
Rot. Bonds4

About ethyl 4-(cyclobutanecarboximidoyl)benzoate

ethyl 4-(cyclobutanecarboximidoyl)benzoate (PubChem CID 90334516) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is ethyl 4-(cyclobutanecarboximidoyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(cyclobutanecarboximidoyl)benzoate
PubChem CID90334516
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Nameethyl 4-(cyclobutanecarboximidoyl)benzoate
SMILES[H]/N=C(/c1ccc(C(=O)OCC)cc1)C1CCC1
InChIInChI=1S/C14H17NO2/c1-2-17-14(16)12-8-6-11(7-9-12)13(15)10-4-3-5-10/h6-10,15H,2-5H2,1H3/b15-13+
InChIKeyASUVXSZAHGXWJG-FYWRMAATSA-N
XLogP3.03
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-(cyclobutanecarboximidoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(cyclobutanecarbonyl)benzoate
CID 24724122
ethyl 4-(cyclopentanecarbonyl)benzoate
CID 24724161
ethyl 4-(N,N-dimethylcarbamimidoyl)benzoate
CID 22631319
ethyl 4-[cyclobutyl(difluoro)methyl]benzoate
CID 69437235
ethyl 4-[(2R)-2-hydroxypyrrolidin-1-yl]benzoate
CID 141014623
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(oxiran-2-yl)benzoate
CID 22123819
ethyl 4-(4-aminocyclohexyl)oxybenzoate
CID 16756169
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
butane;ethyl 4-aminobenzoate
CID 67389405
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclobutanecarboximidoyl)benzoate?
The IUPAC name of ethyl 4-(cyclobutanecarboximidoyl)benzoate (CID 90334516) is ethyl 4-(cyclobutanecarboximidoyl)benzoate.
What is the SMILES notation for ethyl 4-(cyclobutanecarboximidoyl)benzoate?
The canonical SMILES for ethyl 4-(cyclobutanecarboximidoyl)benzoate is [H]/N=C(/c1ccc(C(=O)OCC)cc1)C1CCC1.
What is the InChIKey of ethyl 4-(cyclobutanecarboximidoyl)benzoate?
The InChIKey is ASUVXSZAHGXWJG-FYWRMAATSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-17-14(16)12-8-6-11(7-9-12)13(15)10-4-3-5-10/h6-10,15H,2-5H2,1H3/b15-13+.
What are the key properties of ethyl 4-(cyclobutanecarboximidoyl)benzoate?
ethyl 4-(cyclobutanecarboximidoyl)benzoate has a molecular weight of 231.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclobutanecarboximidoyl)benzoate is sourced from PubChem (CID 90334516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).