3-(2,3-dichloroanilino)cyclohex-2-en-1-one

C12H11Cl2NO — CID 3073065

IUPAC3-(2,3-dichloroanilino)cyclohex-2-en-1-one
SMILESO=C1C=C(Nc2cccc(Cl)c2Cl)CCC1
InChIInChI=1S/C12H11Cl2NO/c13-10-5-2-6-11(12(10)14)15-8-3-1-4-9(16)7-8/h2,5-7,15H,1,3-4H2
InChIKeyOTTPFCJTQXRWHO-UHFFFAOYSA-N
MW256.13 g/mol
LogP4.04
Rot. Bonds2

About 3-(2,3-dichloroanilino)cyclohex-2-en-1-one

3-(2,3-dichloroanilino)cyclohex-2-en-1-one (PubChem CID 3073065) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 3-(2,3-dichloroanilino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2,3-dichloroanilino)cyclohex-2-en-1-one
PubChem CID3073065
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name3-(2,3-dichloroanilino)cyclohex-2-en-1-one
SMILESO=C1C=C(Nc2cccc(Cl)c2Cl)CCC1
InChIInChI=1S/C12H11Cl2NO/c13-10-5-2-6-11(12(10)14)15-8-3-1-4-9(16)7-8/h2,5-7,15H,1,3-4H2
InChIKeyOTTPFCJTQXRWHO-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroanilino)cyclohex-2-en-1-one?
The IUPAC name of 3-(2,3-dichloroanilino)cyclohex-2-en-1-one (CID 3073065) is 3-(2,3-dichloroanilino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2,3-dichloroanilino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2,3-dichloroanilino)cyclohex-2-en-1-one is O=C1C=C(Nc2cccc(Cl)c2Cl)CCC1.
What is the InChIKey of 3-(2,3-dichloroanilino)cyclohex-2-en-1-one?
The InChIKey is OTTPFCJTQXRWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c13-10-5-2-6-11(12(10)14)15-8-3-1-4-9(16)7-8/h2,5-7,15H,1,3-4H2.
What are the key properties of 3-(2,3-dichloroanilino)cyclohex-2-en-1-one?
3-(2,3-dichloroanilino)cyclohex-2-en-1-one has a molecular weight of 256.13 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroanilino)cyclohex-2-en-1-one is sourced from PubChem (CID 3073065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).