ethyl 2-anilinocyclohexene-1-carboxylate

C15H19NO2 — CID 46184495

IUPACethyl 2-anilinocyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)CCCC1
InChIInChI=1S/C15H19NO2/c1-2-18-15(17)13-10-6-7-11-14(13)16-12-8-4-3-5-9-12/h3-5,8-9,16H,2,6-7,10-11H2,1H3
InChIKeyAJDZPEDZNORIGO-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.49
Rot. Bonds4

About ethyl 2-anilinocyclohexene-1-carboxylate

ethyl 2-anilinocyclohexene-1-carboxylate (PubChem CID 46184495) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 2-anilinocyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-anilinocyclohexene-1-carboxylate
PubChem CID46184495
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Nameethyl 2-anilinocyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)CCCC1
InChIInChI=1S/C15H19NO2/c1-2-18-15(17)13-10-6-7-11-14(13)16-12-8-4-3-5-9-12/h3-5,8-9,16H,2,6-7,10-11H2,1H3
InChIKeyAJDZPEDZNORIGO-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-anilinocyclohexene-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilinocyclohexene-1-carboxylate?
The IUPAC name of ethyl 2-anilinocyclohexene-1-carboxylate (CID 46184495) is ethyl 2-anilinocyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 2-anilinocyclohexene-1-carboxylate?
The canonical SMILES for ethyl 2-anilinocyclohexene-1-carboxylate is CCOC(=O)C1=C(Nc2ccccc2)CCCC1.
What is the InChIKey of ethyl 2-anilinocyclohexene-1-carboxylate?
The InChIKey is AJDZPEDZNORIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-18-15(17)13-10-6-7-11-14(13)16-12-8-4-3-5-9-12/h3-5,8-9,16H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 2-anilinocyclohexene-1-carboxylate?
ethyl 2-anilinocyclohexene-1-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilinocyclohexene-1-carboxylate is sourced from PubChem (CID 46184495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).