2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one

C11H19NO — CID 18320207

IUPAC2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one
SMILESCN(C)CC1=CC(C)(C)CCC1=O
InChIInChI=1S/C11H19NO/c1-11(2)6-5-10(13)9(7-11)8-12(3)4/h7H,5-6,8H2,1-4H3
InChIKeyGIOKTRCNJOCNES-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds2

About 2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one

2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 18320207) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one
PubChem CID18320207
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one
SMILESCN(C)CC1=CC(C)(C)CCC1=O
InChIInChI=1S/C11H19NO/c1-11(2)6-5-10(13)9(7-11)8-12(3)4/h7H,5-6,8H2,1-4H3
InChIKeyGIOKTRCNJOCNES-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one (CID 18320207) is 2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one is CN(C)CC1=CC(C)(C)CCC1=O.
What is the InChIKey of 2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is GIOKTRCNJOCNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2)6-5-10(13)9(7-11)8-12(3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one?
2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 18320207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).