(Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium

C9H12N2OY-2 — CID 59905068

IUPAC(Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium
SMILES[CH2-]CC(=C(\[CH2-])CC)/C(C#N)=N\O.[Y]
InChIInChI=1S/C9H12N2O.Y/c1-4-7(3)8(5-2)9(6-10)11-12;/h12H,2-5H2,1H3;/q-2;/b8-7-,11-9-;
InChIKeyLIVSUZOTCPYQRS-HIABXNDZSA-N
MW253.11 g/mol
LogP2.10
Rot. Bonds3

About (Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium

(Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium (PubChem CID 59905068) has the molecular formula C9H12N2OY-2 and a molecular weight of 253.11 g/mol. Its IUPAC name is (Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium.

Molecular Properties

Compound Name(Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium
PubChem CID59905068
Molecular FormulaC9H12N2OY-2
Molecular Weight253.11 g/mol
Exact Mass253.00
IUPAC Name(Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium
SMILES[CH2-]CC(=C(\[CH2-])CC)/C(C#N)=N\O.[Y]
InChIInChI=1S/C9H12N2O.Y/c1-4-7(3)8(5-2)9(6-10)11-12;/h12H,2-5H2,1H3;/q-2;/b8-7-,11-9-;
InChIKeyLIVSUZOTCPYQRS-HIABXNDZSA-N
XLogP2.10
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.11
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium?
The IUPAC name of (Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium (CID 59905068) is (Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium.
What is the SMILES notation for (Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium?
The canonical SMILES for (Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium is [CH2-]CC(=C(\[CH2-])CC)/C(C#N)=N\O.[Y].
What is the InChIKey of (Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium?
The InChIKey is LIVSUZOTCPYQRS-HIABXNDZSA-N. The full InChI is InChI=1S/C9H12N2O.Y/c1-4-7(3)8(5-2)9(6-10)11-12;/h12H,2-5H2,1H3;/q-2;/b8-7-,11-9-;.
What are the key properties of (Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium?
(Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium has a molecular weight of 253.11 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-3-ethyl-2-hydroxyimino-4-methanidylhex-3-enenitrile;yttrium is sourced from PubChem (CID 59905068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).