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

C11H12AcNO2- — CID 59082650

IUPACactinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide
SMILESCOC(=O)/C=C(\[NH-])c1ccc(C)cc1.[Ac]
InChIInChI=1S/C11H13NO2.Ac/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2;/h3-7H,1-2H3,(H2,12,13);/p-1
InChIKeyLOGINSZYFJNJQF-UHFFFAOYSA-M
MW417.22 g/mol
LogP2.56
Rot. Bonds2

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

actinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide (PubChem CID 59082650) has the molecular formula C11H12AcNO2- and a molecular weight of 417.22 g/mol. Its IUPAC name is actinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide.

Molecular Properties

Compound Nameactinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide
PubChem CID59082650
Molecular FormulaC11H12AcNO2-
Molecular Weight417.22 g/mol
Exact Mass417.12
IUPAC Nameactinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide
SMILESCOC(=O)/C=C(\[NH-])c1ccc(C)cc1.[Ac]
InChIInChI=1S/C11H13NO2.Ac/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2;/h3-7H,1-2H3,(H2,12,13);/p-1
InChIKeyLOGINSZYFJNJQF-UHFFFAOYSA-M
XLogP2.56
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.22
LogP ≤ 52.56
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

methyl (Z)-3-[2-(4-methylbenzoyl)hydrazinyl]but-2-enoate
CID 23268413
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate
CID 102577743
methyl (E)-3-(4-methylphenyl)-3-(trifluoromethylsulfonyloxy)prop-2-enoate
CID 24746560
methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate
CID 82543564
tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride
CID 173239538
methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate
CID 139880255
methyl (Z)-3-(3,5-dimethylphenyl)but-2-enoate
CID 11790323
methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
CID 130130051
methyl (Z)-4-bromo-3-(4-methoxyphenyl)but-2-enoate
CID 131873738
N-(3,5-diformylphenyl)-4-methylbenzamide
CID 163216310

Frequently Asked Questions

What is the IUPAC name of actinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide?
The IUPAC name of actinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide (CID 59082650) is actinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide.
What is the SMILES notation for actinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide?
The canonical SMILES for actinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide is COC(=O)/C=C(\[NH-])c1ccc(C)cc1.[Ac].
What is the InChIKey of actinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide?
The InChIKey is LOGINSZYFJNJQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13NO2.Ac/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2;/h3-7H,1-2H3,(H2,12,13);/p-1.
What are the key properties of actinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide?
actinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide has a molecular weight of 417.22 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide is sourced from PubChem (CID 59082650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).