1-aminobutan-2-one;rhenium

C4H8NORe- — CID 163779097

IUPAC1-aminobutan-2-one;rhenium
SMILESCCC(=O)[CH-]N.[Re]
InChIInChI=1S/C4H8NO.Re/c1-2-4(6)3-5;/h3H,2,5H2,1H3;/q-1;
InChIKeyVJERJZZSZZILIC-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.08
Rot. Bonds2

About 1-aminobutan-2-one;rhenium

1-aminobutan-2-one;rhenium (PubChem CID 163779097) has the molecular formula C4H8NORe- and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-aminobutan-2-one;rhenium.

Molecular Properties

Compound Name1-aminobutan-2-one;rhenium
PubChem CID163779097
Molecular FormulaC4H8NORe-
Molecular Weight272.32 g/mol
Exact Mass273.02
IUPAC Name1-aminobutan-2-one;rhenium
SMILESCCC(=O)[CH-]N.[Re]
InChIInChI=1S/C4H8NO.Re/c1-2-4(6)3-5;/h3H,2,5H2,1H3;/q-1;
InChIKeyVJERJZZSZZILIC-UHFFFAOYSA-N
XLogP0.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-aminobutan-2-one;rhenium?
The IUPAC name of 1-aminobutan-2-one;rhenium (CID 163779097) is 1-aminobutan-2-one;rhenium.
What is the SMILES notation for 1-aminobutan-2-one;rhenium?
The canonical SMILES for 1-aminobutan-2-one;rhenium is CCC(=O)[CH-]N.[Re].
What is the InChIKey of 1-aminobutan-2-one;rhenium?
The InChIKey is VJERJZZSZZILIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO.Re/c1-2-4(6)3-5;/h3H,2,5H2,1H3;/q-1;.
What are the key properties of 1-aminobutan-2-one;rhenium?
1-aminobutan-2-one;rhenium has a molecular weight of 272.32 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobutan-2-one;rhenium is sourced from PubChem (CID 163779097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).