3-(dimethylamino)-7-methyloct-6-en-2-one

C11H21NO — CID 23550308

IUPAC3-(dimethylamino)-7-methyloct-6-en-2-one
SMILESCC(=O)C(CCC=C(C)C)N(C)C
InChIInChI=1S/C11H21NO/c1-9(2)7-6-8-11(10(3)13)12(4)5/h7,11H,6,8H2,1-5H3
InChIKeyDQIYKZVLBCIXPG-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.25
Rot. Bonds5

About 3-(dimethylamino)-7-methyloct-6-en-2-one

3-(dimethylamino)-7-methyloct-6-en-2-one (PubChem CID 23550308) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(dimethylamino)-7-methyloct-6-en-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-7-methyloct-6-en-2-one
PubChem CID23550308
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(dimethylamino)-7-methyloct-6-en-2-one
SMILESCC(=O)C(CCC=C(C)C)N(C)C
InChIInChI=1S/C11H21NO/c1-9(2)7-6-8-11(10(3)13)12(4)5/h7,11H,6,8H2,1-5H3
InChIKeyDQIYKZVLBCIXPG-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-7-methyloct-6-en-2-one?
The IUPAC name of 3-(dimethylamino)-7-methyloct-6-en-2-one (CID 23550308) is 3-(dimethylamino)-7-methyloct-6-en-2-one.
What is the SMILES notation for 3-(dimethylamino)-7-methyloct-6-en-2-one?
The canonical SMILES for 3-(dimethylamino)-7-methyloct-6-en-2-one is CC(=O)C(CCC=C(C)C)N(C)C.
What is the InChIKey of 3-(dimethylamino)-7-methyloct-6-en-2-one?
The InChIKey is DQIYKZVLBCIXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)7-6-8-11(10(3)13)12(4)5/h7,11H,6,8H2,1-5H3.
What are the key properties of 3-(dimethylamino)-7-methyloct-6-en-2-one?
3-(dimethylamino)-7-methyloct-6-en-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-7-methyloct-6-en-2-one is sourced from PubChem (CID 23550308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).