3-anilino-5-phenylcyclohex-2-en-1-one

C18H17NO — CID 2834825

IUPAC3-anilino-5-phenylcyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccccc2)CC(c2ccccc2)C1
InChIInChI=1S/C18H17NO/c20-18-12-15(14-7-3-1-4-8-14)11-17(13-18)19-16-9-5-2-6-10-16/h1-10,13,15,19H,11-12H2
InChIKeyTWQANWHARNYQGO-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.13
Rot. Bonds3

About 3-anilino-5-phenylcyclohex-2-en-1-one

3-anilino-5-phenylcyclohex-2-en-1-one (PubChem CID 2834825) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-anilino-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-anilino-5-phenylcyclohex-2-en-1-one
PubChem CID2834825
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name3-anilino-5-phenylcyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccccc2)CC(c2ccccc2)C1
InChIInChI=1S/C18H17NO/c20-18-12-15(14-7-3-1-4-8-14)11-17(13-18)19-16-9-5-2-6-10-16/h1-10,13,15,19H,11-12H2
InChIKeyTWQANWHARNYQGO-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-anilino-5-phenylcyclohex-2-en-1-one (CID 2834825) is 3-anilino-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-anilino-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-anilino-5-phenylcyclohex-2-en-1-one is O=C1C=C(Nc2ccccc2)CC(c2ccccc2)C1.
What is the InChIKey of 3-anilino-5-phenylcyclohex-2-en-1-one?
The InChIKey is TWQANWHARNYQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-18-12-15(14-7-3-1-4-8-14)11-17(13-18)19-16-9-5-2-6-10-16/h1-10,13,15,19H,11-12H2.
What are the key properties of 3-anilino-5-phenylcyclohex-2-en-1-one?
3-anilino-5-phenylcyclohex-2-en-1-one has a molecular weight of 263.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 2834825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).