3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium

C15H31NOWY-2 — CID 158402603

IUPAC3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium
SMILESCC.C[N-]C(=O)CC[C@H]1CC[C@@H](C)[C@H]1C.[CH2-]C.[W].[Y]
InChIInChI=1S/C11H21NO.C2H6.C2H5.W.Y/c1-8-4-5-10(9(8)2)6-7-11(13)12-3;2*1-2;;/h8-10H,4-7H2,1-3H3,(H,12,13);1-2H3;1H2,2H3;;/q;;-1;;/p-1/t8-,9-,10-;;;;/m1..../s1
InChIKeyQUXPMKRVHUXCOT-RAWSLBQWSA-M
MW514.17 g/mol
LogP4.84
Rot. Bonds3

About 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium

3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium (PubChem CID 158402603) has the molecular formula C15H31NOWY-2 and a molecular weight of 514.17 g/mol. Its IUPAC name is 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium.

Molecular Properties

Compound Name3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium
PubChem CID158402603
Molecular FormulaC15H31NOWY-2
Molecular Weight514.17 g/mol
Exact Mass514.10
IUPAC Name3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium
SMILESCC.C[N-]C(=O)CC[C@H]1CC[C@@H](C)[C@H]1C.[CH2-]C.[W].[Y]
InChIInChI=1S/C11H21NO.C2H6.C2H5.W.Y/c1-8-4-5-10(9(8)2)6-7-11(13)12-3;2*1-2;;/h8-10H,4-7H2,1-3H3,(H,12,13);1-2H3;1H2,2H3;;/q;;-1;;/p-1/t8-,9-,10-;;;;/m1..../s1
InChIKeyQUXPMKRVHUXCOT-RAWSLBQWSA-M
XLogP4.84
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.17
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium?
The IUPAC name of 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium (CID 158402603) is 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium.
What is the SMILES notation for 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium?
The canonical SMILES for 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium is CC.C[N-]C(=O)CC[C@H]1CC[C@@H](C)[C@H]1C.[CH2-]C.[W].[Y].
What is the InChIKey of 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium?
The InChIKey is QUXPMKRVHUXCOT-RAWSLBQWSA-M. The full InChI is InChI=1S/C11H21NO.C2H6.C2H5.W.Y/c1-8-4-5-10(9(8)2)6-7-11(13)12-3;2*1-2;;/h8-10H,4-7H2,1-3H3,(H,12,13);1-2H3;1H2,2H3;;/q;;-1;;/p-1/t8-,9-,10-;;;;/m1..../s1.
What are the key properties of 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium?
3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium has a molecular weight of 514.17 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium is sourced from PubChem (CID 158402603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).