[(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium

C9H17ClNO2+ — CID 22301072

IUPAC[(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium
SMILESCOC(=O)C(C/C=C(/C)Cl)[NH+](C)C
InChIInChI=1S/C9H16ClNO2/c1-7(10)5-6-8(11(2)3)9(12)13-4/h5,8H,6H2,1-4H3/p+1/b7-5-
InChIKeyRKZYLRJEKKJYQY-ALCCZGGFSA-O
MW206.69 g/mol
LogP0.21
Rot. Bonds4

About [(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium

[(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium (PubChem CID 22301072) has the molecular formula C9H17ClNO2+ and a molecular weight of 206.69 g/mol. Its IUPAC name is [(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium
PubChem CID22301072
Molecular FormulaC9H17ClNO2+
Molecular Weight206.69 g/mol
Exact Mass206.09
IUPAC Name[(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium
SMILESCOC(=O)C(C/C=C(/C)Cl)[NH+](C)C
InChIInChI=1S/C9H16ClNO2/c1-7(10)5-6-8(11(2)3)9(12)13-4/h5,8H,6H2,1-4H3/p+1/b7-5-
InChIKeyRKZYLRJEKKJYQY-ALCCZGGFSA-O
XLogP0.21
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.69
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium?
The IUPAC name of [(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium (CID 22301072) is [(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium.
What is the SMILES notation for [(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium?
The canonical SMILES for [(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium is COC(=O)C(C/C=C(/C)Cl)[NH+](C)C.
What is the InChIKey of [(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium?
The InChIKey is RKZYLRJEKKJYQY-ALCCZGGFSA-O. The full InChI is InChI=1S/C9H16ClNO2/c1-7(10)5-6-8(11(2)3)9(12)13-4/h5,8H,6H2,1-4H3/p+1/b7-5-.
What are the key properties of [(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium?
[(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium has a molecular weight of 206.69 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-chloro-1-methoxy-1-oxohex-4-en-2-yl]-dimethylazanium is sourced from PubChem (CID 22301072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).