ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium

C12H24N2OY-2 — CID 59055335

IUPACethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium
SMILESCC[C@@H]1C[C@@H](CCN[C-]=O)N(C)C1.[CH2-]C.[Y]
InChIInChI=1S/C10H19N2O.C2H5.Y/c1-3-9-6-10(12(2)7-9)4-5-11-8-13;1-2;/h9-10H,3-7H2,1-2H3,(H,11,13);1H2,2H3;/q2*-1;/t9-,10-;;/m1../s1
InChIKeyXHRAACWKVQLTEP-HSTMFJOWSA-N
MW301.24 g/mol
LogP1.60
Rot. Bonds5

About ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium

ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium (PubChem CID 59055335) has the molecular formula C12H24N2OY-2 and a molecular weight of 301.24 g/mol. Its IUPAC name is ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium.

Molecular Properties

Compound Nameethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium
PubChem CID59055335
Molecular FormulaC12H24N2OY-2
Molecular Weight301.24 g/mol
Exact Mass301.10
IUPAC Nameethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium
SMILESCC[C@@H]1C[C@@H](CCN[C-]=O)N(C)C1.[CH2-]C.[Y]
InChIInChI=1S/C10H19N2O.C2H5.Y/c1-3-9-6-10(12(2)7-9)4-5-11-8-13;1-2;/h9-10H,3-7H2,1-2H3,(H,11,13);1H2,2H3;/q2*-1;/t9-,10-;;/m1../s1
InChIKeyXHRAACWKVQLTEP-HSTMFJOWSA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium?
The IUPAC name of ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium (CID 59055335) is ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium.
What is the SMILES notation for ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium?
The canonical SMILES for ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium is CC[C@@H]1C[C@@H](CCN[C-]=O)N(C)C1.[CH2-]C.[Y].
What is the InChIKey of ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium?
The InChIKey is XHRAACWKVQLTEP-HSTMFJOWSA-N. The full InChI is InChI=1S/C10H19N2O.C2H5.Y/c1-3-9-6-10(12(2)7-9)4-5-11-8-13;1-2;/h9-10H,3-7H2,1-2H3,(H,11,13);1H2,2H3;/q2*-1;/t9-,10-;;/m1../s1.
What are the key properties of ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium?
ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium has a molecular weight of 301.24 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]ethylamino]methanone;yttrium is sourced from PubChem (CID 59055335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).