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

C10H17NO — CID 102244152

IUPAC5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(C)(N(C)C)C1
InChIInChI=1S/C10H17NO/c1-8-5-9(12)7-10(2,6-8)11(3)4/h5H,6-7H2,1-4H3
InChIKeyHWAKUVSGHHEJFO-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.62
Rot. Bonds1

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

5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one (PubChem CID 102244152) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one
PubChem CID102244152
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(C)(N(C)C)C1
InChIInChI=1S/C10H17NO/c1-8-5-9(12)7-10(2,6-8)11(3)4/h5H,6-7H2,1-4H3
InChIKeyHWAKUVSGHHEJFO-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one (CID 102244152) is 5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one is CC1=CC(=O)CC(C)(N(C)C)C1.
What is the InChIKey of 5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one?
The InChIKey is HWAKUVSGHHEJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-5-9(12)7-10(2,6-8)11(3)4/h5H,6-7H2,1-4H3.
What are the key properties of 5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one?
5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 102244152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).