2-methylprop-2-en-1-one;tantalum

C4H5OTa- — CID 87346004

IUPAC2-methylprop-2-en-1-one;tantalum
SMILESC=C(C)[C-]=O.[Ta]
InChIInChI=1S/C4H5O.Ta/c1-4(2)3-5;/h1H2,2H3;/q-1;
InChIKeyQVKRCPMAKUYVFZ-UHFFFAOYSA-N
MW250.03 g/mol
LogP0.67
Rot. Bonds1

About 2-methylprop-2-en-1-one;tantalum

2-methylprop-2-en-1-one;tantalum (PubChem CID 87346004) has the molecular formula C4H5OTa- and a molecular weight of 250.03 g/mol. Its IUPAC name is 2-methylprop-2-en-1-one;tantalum.

Molecular Properties

Compound Name2-methylprop-2-en-1-one;tantalum
PubChem CID87346004
Molecular FormulaC4H5OTa-
Molecular Weight250.03 g/mol
Exact Mass249.98
IUPAC Name2-methylprop-2-en-1-one;tantalum
SMILESC=C(C)[C-]=O.[Ta]
InChIInChI=1S/C4H5O.Ta/c1-4(2)3-5;/h1H2,2H3;/q-1;
InChIKeyQVKRCPMAKUYVFZ-UHFFFAOYSA-N
XLogP0.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.03
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-en-1-one;tantalum?
The IUPAC name of 2-methylprop-2-en-1-one;tantalum (CID 87346004) is 2-methylprop-2-en-1-one;tantalum.
What is the SMILES notation for 2-methylprop-2-en-1-one;tantalum?
The canonical SMILES for 2-methylprop-2-en-1-one;tantalum is C=C(C)[C-]=O.[Ta].
What is the InChIKey of 2-methylprop-2-en-1-one;tantalum?
The InChIKey is QVKRCPMAKUYVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O.Ta/c1-4(2)3-5;/h1H2,2H3;/q-1;.
What are the key properties of 2-methylprop-2-en-1-one;tantalum?
2-methylprop-2-en-1-one;tantalum has a molecular weight of 250.03 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-en-1-one;tantalum is sourced from PubChem (CID 87346004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).