dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium

C11H20N2Y-2 — CID 59826895

IUPACdimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium
SMILESCCn1c(C)[c-]c(C)c1C.C[N-]C.[Y]
InChIInChI=1S/C9H14N.C2H6N.Y/c1-5-10-8(3)6-7(2)9(10)4;1-3-2;/h5H2,1-4H3;1-2H3;/q2*-1;
InChIKeyAKLKKTLPLCZPET-UHFFFAOYSA-N
MW269.20 g/mol
LogP2.85
Rot. Bonds1

About dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium

dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium (PubChem CID 59826895) has the molecular formula C11H20N2Y-2 and a molecular weight of 269.20 g/mol. Its IUPAC name is dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium.

Molecular Properties

Compound Namedimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium
PubChem CID59826895
Molecular FormulaC11H20N2Y-2
Molecular Weight269.20 g/mol
Exact Mass269.07
IUPAC Namedimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium
SMILESCCn1c(C)[c-]c(C)c1C.C[N-]C.[Y]
InChIInChI=1S/C9H14N.C2H6N.Y/c1-5-10-8(3)6-7(2)9(10)4;1-3-2;/h5H2,1-4H3;1-2H3;/q2*-1;
InChIKeyAKLKKTLPLCZPET-UHFFFAOYSA-N
XLogP2.85
TPSA19.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 52.85
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 dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium?
The IUPAC name of dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium (CID 59826895) is dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium.
What is the SMILES notation for dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium?
The canonical SMILES for dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium is CCn1c(C)[c-]c(C)c1C.C[N-]C.[Y].
What is the InChIKey of dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium?
The InChIKey is AKLKKTLPLCZPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N.C2H6N.Y/c1-5-10-8(3)6-7(2)9(10)4;1-3-2;/h5H2,1-4H3;1-2H3;/q2*-1;.
What are the key properties of dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium?
dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium has a molecular weight of 269.20 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanide;1-ethyl-2,4,5-trimethyl-3H-pyrrol-3-ide;yttrium is sourced from PubChem (CID 59826895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).