ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium

C15H26N2O2Y-2 — CID 162203367

IUPACethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium
SMILESCC.C[N-]C(=O)CCc1noc2c1CCCC2.[CH2-]C.[Y]
InChIInChI=1S/C11H16N2O2.C2H6.C2H5.Y/c1-12-11(14)7-6-9-8-4-2-3-5-10(8)15-13-9;2*1-2;/h2-7H2,1H3,(H,12,14);1-2H3;1H2,2H3;/q;;-1;/p-1
InChIKeyBUKGJFBMNPOCMP-UHFFFAOYSA-M
MW355.29 g/mol
LogP3.88
Rot. Bonds3

About ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium

ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium (PubChem CID 162203367) has the molecular formula C15H26N2O2Y-2 and a molecular weight of 355.29 g/mol. Its IUPAC name is ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium.

Molecular Properties

Compound Nameethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium
PubChem CID162203367
Molecular FormulaC15H26N2O2Y-2
Molecular Weight355.29 g/mol
Exact Mass355.11
IUPAC Nameethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium
SMILESCC.C[N-]C(=O)CCc1noc2c1CCCC2.[CH2-]C.[Y]
InChIInChI=1S/C11H16N2O2.C2H6.C2H5.Y/c1-12-11(14)7-6-9-8-4-2-3-5-10(8)15-13-9;2*1-2;/h2-7H2,1H3,(H,12,14);1-2H3;1H2,2H3;/q;;-1;/p-1
InChIKeyBUKGJFBMNPOCMP-UHFFFAOYSA-M
XLogP3.88
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium?
The IUPAC name of ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium (CID 162203367) is ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium.
What is the SMILES notation for ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium?
The canonical SMILES for ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium is CC.C[N-]C(=O)CCc1noc2c1CCCC2.[CH2-]C.[Y].
What is the InChIKey of ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium?
The InChIKey is BUKGJFBMNPOCMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N2O2.C2H6.C2H5.Y/c1-12-11(14)7-6-9-8-4-2-3-5-10(8)15-13-9;2*1-2;/h2-7H2,1H3,(H,12,14);1-2H3;1H2,2H3;/q;;-1;/p-1.
What are the key properties of ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium?
ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium has a molecular weight of 355.29 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium is sourced from PubChem (CID 162203367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).