actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide

C8H14AcNO2- — CID 21343685

IUPACactinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide
SMILESCOC(=O)/C=C(\[NH-])CC(C)C.[Ac]
InChIInChI=1S/C8H15NO2.Ac/c1-6(2)4-7(9)5-8(10)11-3;/h5-6H,4H2,1-3H3,(H2,9,10);/p-1
InChIKeyPVMKUXYOFTXJSI-UHFFFAOYSA-M
MW383.21 g/mol
LogP2.14
Rot. Bonds3

About actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide

actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide (PubChem CID 21343685) has the molecular formula C8H14AcNO2- and a molecular weight of 383.21 g/mol. Its IUPAC name is actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide.

Molecular Properties

Compound Nameactinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide
PubChem CID21343685
Molecular FormulaC8H14AcNO2-
Molecular Weight383.21 g/mol
Exact Mass383.13
IUPAC Nameactinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide
SMILESCOC(=O)/C=C(\[NH-])CC(C)C.[Ac]
InChIInChI=1S/C8H15NO2.Ac/c1-6(2)4-7(9)5-8(10)11-3;/h5-6H,4H2,1-3H3,(H2,9,10);/p-1
InChIKeyPVMKUXYOFTXJSI-UHFFFAOYSA-M
XLogP2.14
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide?
The IUPAC name of actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide (CID 21343685) is actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide.
What is the SMILES notation for actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide?
The canonical SMILES for actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide is COC(=O)/C=C(\[NH-])CC(C)C.[Ac].
What is the InChIKey of actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide?
The InChIKey is PVMKUXYOFTXJSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15NO2.Ac/c1-6(2)4-7(9)5-8(10)11-3;/h5-6H,4H2,1-3H3,(H2,9,10);/p-1.
What are the key properties of actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide?
actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide has a molecular weight of 383.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(Z)-1-methoxy-5-methyl-1-oxohex-2-en-3-yl]azanide is sourced from PubChem (CID 21343685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).