2-anilino-3,5,5-trimethylcyclohex-2-en-1-one

C15H19NO — CID 141490074

IUPAC2-anilino-3,5,5-trimethylcyclohex-2-en-1-one
SMILESCC1=C(Nc2ccccc2)C(=O)CC(C)(C)C1
InChIInChI=1S/C15H19NO/c1-11-9-15(2,3)10-13(17)14(11)16-12-7-5-4-6-8-12/h4-8,16H,9-10H2,1-3H3
InChIKeyAUIYFWRCEPWROG-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.76
Rot. Bonds2

About 2-anilino-3,5,5-trimethylcyclohex-2-en-1-one

2-anilino-3,5,5-trimethylcyclohex-2-en-1-one (PubChem CID 141490074) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-anilino-3,5,5-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-anilino-3,5,5-trimethylcyclohex-2-en-1-one
PubChem CID141490074
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-anilino-3,5,5-trimethylcyclohex-2-en-1-one
SMILESCC1=C(Nc2ccccc2)C(=O)CC(C)(C)C1
InChIInChI=1S/C15H19NO/c1-11-9-15(2,3)10-13(17)14(11)16-12-7-5-4-6-8-12/h4-8,16H,9-10H2,1-3H3
InChIKeyAUIYFWRCEPWROG-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-3,5,5-trimethylcyclohex-2-en-1-one?
The IUPAC name of 2-anilino-3,5,5-trimethylcyclohex-2-en-1-one (CID 141490074) is 2-anilino-3,5,5-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for 2-anilino-3,5,5-trimethylcyclohex-2-en-1-one?
The canonical SMILES for 2-anilino-3,5,5-trimethylcyclohex-2-en-1-one is CC1=C(Nc2ccccc2)C(=O)CC(C)(C)C1.
What is the InChIKey of 2-anilino-3,5,5-trimethylcyclohex-2-en-1-one?
The InChIKey is AUIYFWRCEPWROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-9-15(2,3)10-13(17)14(11)16-12-7-5-4-6-8-12/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 2-anilino-3,5,5-trimethylcyclohex-2-en-1-one?
2-anilino-3,5,5-trimethylcyclohex-2-en-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3,5,5-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 141490074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).