deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium

C11H21NO2Y-2 — CID 58932686

IUPACdeuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium
SMILES[2H][CH2-].[CH2-]N1C(=O)CC[C@@H]1CCC(O)CC.[Y]
InChIInChI=1S/C10H18NO2.CH3.Y/c1-3-9(12)6-4-8-5-7-10(13)11(8)2;;/h8-9,12H,2-7H2,1H3;1H3;/q2*-1;/t8-,9?;;/m0../s1/i;1D;
InChIKeyUVMPSGBBPYWTNT-TUWMAVPNSA-N
MW289.21 g/mol
LogP1.77
Rot. Bonds4

About deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium

deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium (PubChem CID 58932686) has the molecular formula C11H21NO2Y-2 and a molecular weight of 289.21 g/mol. Its IUPAC name is deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium.

Molecular Properties

Compound Namedeuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium
PubChem CID58932686
Molecular FormulaC11H21NO2Y-2
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Namedeuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium
SMILES[2H][CH2-].[CH2-]N1C(=O)CC[C@@H]1CCC(O)CC.[Y]
InChIInChI=1S/C10H18NO2.CH3.Y/c1-3-9(12)6-4-8-5-7-10(13)11(8)2;;/h8-9,12H,2-7H2,1H3;1H3;/q2*-1;/t8-,9?;;/m0../s1/i;1D;
InChIKeyUVMPSGBBPYWTNT-TUWMAVPNSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.77
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 deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium?
The IUPAC name of deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium (CID 58932686) is deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium.
What is the SMILES notation for deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium?
The canonical SMILES for deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium is [2H][CH2-].[CH2-]N1C(=O)CC[C@@H]1CCC(O)CC.[Y].
What is the InChIKey of deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium?
The InChIKey is UVMPSGBBPYWTNT-TUWMAVPNSA-N. The full InChI is InChI=1S/C10H18NO2.CH3.Y/c1-3-9(12)6-4-8-5-7-10(13)11(8)2;;/h8-9,12H,2-7H2,1H3;1H3;/q2*-1;/t8-,9?;;/m0../s1/i;1D;.
What are the key properties of deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium?
deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium has a molecular weight of 289.21 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;(5S)-5-(3-hydroxypentyl)-1-methanidylpyrrolidin-2-one;yttrium is sourced from PubChem (CID 58932686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).