6-(dimethylamino)deca-1,9-dien-5-one

C12H21NO — CID 86194978

IUPAC6-(dimethylamino)deca-1,9-dien-5-one
SMILESC=CCCC(=O)C(CCC=C)N(C)C
InChIInChI=1S/C12H21NO/c1-5-7-9-11(13(3)4)12(14)10-8-6-2/h5-6,11H,1-2,7-10H2,3-4H3
InChIKeyJHTLIXHUAQGROB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.42
Rot. Bonds8

About 6-(dimethylamino)deca-1,9-dien-5-one

6-(dimethylamino)deca-1,9-dien-5-one (PubChem CID 86194978) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-(dimethylamino)deca-1,9-dien-5-one.

Molecular Properties

Compound Name6-(dimethylamino)deca-1,9-dien-5-one
PubChem CID86194978
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-(dimethylamino)deca-1,9-dien-5-one
SMILESC=CCCC(=O)C(CCC=C)N(C)C
InChIInChI=1S/C12H21NO/c1-5-7-9-11(13(3)4)12(14)10-8-6-2/h5-6,11H,1-2,7-10H2,3-4H3
InChIKeyJHTLIXHUAQGROB-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.42
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 6-(dimethylamino)deca-1,9-dien-5-one?
The IUPAC name of 6-(dimethylamino)deca-1,9-dien-5-one (CID 86194978) is 6-(dimethylamino)deca-1,9-dien-5-one.
What is the SMILES notation for 6-(dimethylamino)deca-1,9-dien-5-one?
The canonical SMILES for 6-(dimethylamino)deca-1,9-dien-5-one is C=CCCC(=O)C(CCC=C)N(C)C.
What is the InChIKey of 6-(dimethylamino)deca-1,9-dien-5-one?
The InChIKey is JHTLIXHUAQGROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-7-9-11(13(3)4)12(14)10-8-6-2/h5-6,11H,1-2,7-10H2,3-4H3.
What are the key properties of 6-(dimethylamino)deca-1,9-dien-5-one?
6-(dimethylamino)deca-1,9-dien-5-one has a molecular weight of 195.31 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)deca-1,9-dien-5-one is sourced from PubChem (CID 86194978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).