carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium

C12H14O3Y-2 — CID 58367994

IUPACcarbanide;(2-oxo-2-phenylethyl) propanoate;yttrium
SMILESCCC(=O)OCC(=O)c1cc[c-]cc1.[CH3-].[Y]
InChIInChI=1S/C11H11O3.CH3.Y/c1-2-11(13)14-8-10(12)9-6-4-3-5-7-9;;/h4-7H,2,8H2,1H3;1H3;/q2*-1;
InChIKeyMROMWKIGQRIGIG-UHFFFAOYSA-N
MW295.15 g/mol
LogP2.07
Rot. Bonds4

About carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium

carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium (PubChem CID 58367994) has the molecular formula C12H14O3Y-2 and a molecular weight of 295.15 g/mol. Its IUPAC name is carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium.

Molecular Properties

Compound Namecarbanide;(2-oxo-2-phenylethyl) propanoate;yttrium
PubChem CID58367994
Molecular FormulaC12H14O3Y-2
Molecular Weight295.15 g/mol
Exact Mass295.00
IUPAC Namecarbanide;(2-oxo-2-phenylethyl) propanoate;yttrium
SMILESCCC(=O)OCC(=O)c1cc[c-]cc1.[CH3-].[Y]
InChIInChI=1S/C11H11O3.CH3.Y/c1-2-11(13)14-8-10(12)9-6-4-3-5-7-9;;/h4-7H,2,8H2,1H3;1H3;/q2*-1;
InChIKeyMROMWKIGQRIGIG-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 18977843
2-Methoxy-6-methylenecyclohexa-2,4-dien-1-one
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methyl (E)-4-(4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-methylbut-3-enoate
CID 12109747
[(2S,4E,6E)-3-oxonona-4,6-dien-2-yl] acetate
CID 14044081
Carbon monoxide;ethyl 2-oxohepta-3,5-dienoate;iron
CID 85378483
Ethyl 2-oxo-3-vinyl-3-pentenoate
CID 129766994
Methyl 2-oxo-3-vinyl-3-pentenoate
CID 129767062
Butyl 4-oxocyclohexa-1,5-diene-1-carboxylate
CID 21909943
ethyl (E)-2-oxohept-3-enoate
CID 25068241
2-Methoxy-3-methyl-6-methylidenecyclohexa-2,4-dien-1-one
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Methyl 2-[3-(bromomethylidene)cyclohexa-1,5-dien-1-yl]-2-oxoacetate
CID 54130588

Frequently Asked Questions

What is the IUPAC name of carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium?
The IUPAC name of carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium (CID 58367994) is carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium.
What is the SMILES notation for carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium?
The canonical SMILES for carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium is CCC(=O)OCC(=O)c1cc[c-]cc1.[CH3-].[Y].
What is the InChIKey of carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium?
The InChIKey is MROMWKIGQRIGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O3.CH3.Y/c1-2-11(13)14-8-10(12)9-6-4-3-5-7-9;;/h4-7H,2,8H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium?
carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium has a molecular weight of 295.15 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium is sourced from PubChem (CID 58367994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).