3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one

C12H19NO — CID 2764803

IUPAC3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one
SMILESCN(C)C=CC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C12H19NO/c1-12(2)8-10(5-6-13(3)4)7-11(14)9-12/h5-7H,8-9H2,1-4H3
InChIKeyCAVLQMAASSCIQS-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.38
Rot. Bonds2

About 3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one

3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 2764803) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one
PubChem CID2764803
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one
SMILESCN(C)C=CC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C12H19NO/c1-12(2)8-10(5-6-13(3)4)7-11(14)9-12/h5-7H,8-9H2,1-4H3
InChIKeyCAVLQMAASSCIQS-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one (CID 2764803) is 3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one is CN(C)C=CC1=CC(=O)CC(C)(C)C1.
What is the InChIKey of 3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is CAVLQMAASSCIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2)8-10(5-6-13(3)4)7-11(14)9-12/h5-7H,8-9H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one?
3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 2764803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).