4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid

C15H19NO2 — CID 82294748

IUPAC4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid
SMILESCN(C)c1ccc(C2CC=C(C(=O)O)CC2)cc1
InChIInChI=1S/C15H19NO2/c1-16(2)14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(17)18/h5,7-11H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyUWOAFNANXPXXHW-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.03
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid

4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid (PubChem CID 82294748) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid
PubChem CID82294748
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid
SMILESCN(C)c1ccc(C2CC=C(C(=O)O)CC2)cc1
InChIInChI=1S/C15H19NO2/c1-16(2)14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(17)18/h5,7-11H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyUWOAFNANXPXXHW-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid?
The IUPAC name of 4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid (CID 82294748) is 4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid is CN(C)c1ccc(C2CC=C(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid?
The InChIKey is UWOAFNANXPXXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16(2)14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(17)18/h5,7-11H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid?
4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 82294748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).