3-(3,4-dimethylanilino)cyclohex-2-en-1-one

C14H17NO — CID 888694

IUPAC3-(3,4-dimethylanilino)cyclohex-2-en-1-one
SMILESCc1ccc(NC2=CC(=O)CCC2)cc1C
InChIInChI=1S/C14H17NO/c1-10-6-7-13(8-11(10)2)15-12-4-3-5-14(16)9-12/h6-9,15H,3-5H2,1-2H3
InChIKeyADIMHYJEUFGPOJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.35
Rot. Bonds2

About 3-(3,4-dimethylanilino)cyclohex-2-en-1-one

3-(3,4-dimethylanilino)cyclohex-2-en-1-one (PubChem CID 888694) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(3,4-dimethylanilino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(3,4-dimethylanilino)cyclohex-2-en-1-one
PubChem CID888694
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(3,4-dimethylanilino)cyclohex-2-en-1-one
SMILESCc1ccc(NC2=CC(=O)CCC2)cc1C
InChIInChI=1S/C14H17NO/c1-10-6-7-13(8-11(10)2)15-12-4-3-5-14(16)9-12/h6-9,15H,3-5H2,1-2H3
InChIKeyADIMHYJEUFGPOJ-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3',4'-Dimethylacetanilide
CID 75144
5,5-Dimethyl-3-(phenylamino)-2-cyclohexen-1-one
CID 205896
N-(5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 2780190
N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 299693
5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one
CID 614722
N-(3,4-dimethylphenyl)-4-methylbenzamide
CID 668813
2,5-Dimethyl-1,4-dihydroquinolin-4-one
CID 233216
4-(4-Toluidino)-1,2-naphthalenedione
CID 272567
2-(4-Methylanilino)naphthalene-1,4-dione
CID 279009
N-(2-Naphthyl)hexanamide
CID 588524
N-(3,4-dimethylphenyl)cyclohexanecarboxamide
CID 854997
5-Phenyl-3-(phenylamino)cyclohex-2-EN-1-one
CID 2834825

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylanilino)cyclohex-2-en-1-one?
The IUPAC name of 3-(3,4-dimethylanilino)cyclohex-2-en-1-one (CID 888694) is 3-(3,4-dimethylanilino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(3,4-dimethylanilino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(3,4-dimethylanilino)cyclohex-2-en-1-one is Cc1ccc(NC2=CC(=O)CCC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylanilino)cyclohex-2-en-1-one?
The InChIKey is ADIMHYJEUFGPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-6-7-13(8-11(10)2)15-12-4-3-5-14(16)9-12/h6-9,15H,3-5H2,1-2H3.
What are the key properties of 3-(3,4-dimethylanilino)cyclohex-2-en-1-one?
3-(3,4-dimethylanilino)cyclohex-2-en-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylanilino)cyclohex-2-en-1-one is sourced from PubChem (CID 888694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).