actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide

C10H9AcBrNO2- — CID 59082654

IUPACactinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide
SMILESCOC(=O)/C=C(\[NH-])c1ccc(Br)cc1.[Ac]
InChIInChI=1S/C10H10BrNO2.Ac/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7;/h2-6H,1H3,(H2,12,13);/p-1
InChIKeyUZPMBTZYCRWORP-UHFFFAOYSA-M
MW482.09 g/mol
LogP3.02
Rot. Bonds2

About actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide

actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide (PubChem CID 59082654) has the molecular formula C10H9AcBrNO2- and a molecular weight of 482.09 g/mol. Its IUPAC name is actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide.

Molecular Properties

Compound Nameactinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide
PubChem CID59082654
Molecular FormulaC10H9AcBrNO2-
Molecular Weight482.09 g/mol
Exact Mass481.01
IUPAC Nameactinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide
SMILESCOC(=O)/C=C(\[NH-])c1ccc(Br)cc1.[Ac]
InChIInChI=1S/C10H10BrNO2.Ac/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7;/h2-6H,1H3,(H2,12,13);/p-1
InChIKeyUZPMBTZYCRWORP-UHFFFAOYSA-M
XLogP3.02
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.09
LogP ≤ 53.02
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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Related Compounds

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methyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide?
The IUPAC name of actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide (CID 59082654) is actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide.
What is the SMILES notation for actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide?
The canonical SMILES for actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide is COC(=O)/C=C(\[NH-])c1ccc(Br)cc1.[Ac].
What is the InChIKey of actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide?
The InChIKey is UZPMBTZYCRWORP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10BrNO2.Ac/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7;/h2-6H,1H3,(H2,12,13);/p-1.
What are the key properties of actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide?
actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide has a molecular weight of 482.09 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide is sourced from PubChem (CID 59082654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).