3-(methanidylamino)butan-2-one;yttrium

C5H9NOY-2 — CID 58224076

IUPAC3-(methanidylamino)butan-2-one;yttrium
SMILES[CH2-]NC([CH2-])C(C)=O.[Y]
InChIInChI=1S/C5H9NO.Y/c1-4(6-3)5(2)7;/h4,6H,1,3H2,2H3;/q-2;
InChIKeyQGXLEMYGCDXONH-UHFFFAOYSA-N
MW188.04 g/mol
LogP0.16
Rot. Bonds2

About 3-(methanidylamino)butan-2-one;yttrium

3-(methanidylamino)butan-2-one;yttrium (PubChem CID 58224076) has the molecular formula C5H9NOY-2 and a molecular weight of 188.04 g/mol. Its IUPAC name is 3-(methanidylamino)butan-2-one;yttrium.

Molecular Properties

Compound Name3-(methanidylamino)butan-2-one;yttrium
PubChem CID58224076
Molecular FormulaC5H9NOY-2
Molecular Weight188.04 g/mol
Exact Mass187.98
IUPAC Name3-(methanidylamino)butan-2-one;yttrium
SMILES[CH2-]NC([CH2-])C(C)=O.[Y]
InChIInChI=1S/C5H9NO.Y/c1-4(6-3)5(2)7;/h4,6H,1,3H2,2H3;/q-2;
InChIKeyQGXLEMYGCDXONH-UHFFFAOYSA-N
XLogP0.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.04
LogP ≤ 50.16
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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Related Compounds

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3-acetylpentane-2,4-dione;hafnium
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bis(pentane-2,4-dione);propan-2-ol;titanium
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pentane-2,4-dione;tris(propan-2-ol);titanium
CID 88807291
CID 173375978
CID 173375978
(2S)-2-amino-3-(3-oxobutanoyloxy)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(methanidylamino)butan-2-one;yttrium?
The IUPAC name of 3-(methanidylamino)butan-2-one;yttrium (CID 58224076) is 3-(methanidylamino)butan-2-one;yttrium.
What is the SMILES notation for 3-(methanidylamino)butan-2-one;yttrium?
The canonical SMILES for 3-(methanidylamino)butan-2-one;yttrium is [CH2-]NC([CH2-])C(C)=O.[Y].
What is the InChIKey of 3-(methanidylamino)butan-2-one;yttrium?
The InChIKey is QGXLEMYGCDXONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.Y/c1-4(6-3)5(2)7;/h4,6H,1,3H2,2H3;/q-2;.
What are the key properties of 3-(methanidylamino)butan-2-one;yttrium?
3-(methanidylamino)butan-2-one;yttrium has a molecular weight of 188.04 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanidylamino)butan-2-one;yttrium is sourced from PubChem (CID 58224076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).