(Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+)

C13H16NRu — CID 153361879

IUPAC(Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+)
SMILESCC/C=C\C(Cc1[c-]cccc1)=N/C.[Ru+]
InChIInChI=1S/C13H16N.Ru/c1-3-4-10-13(14-2)11-12-8-6-5-7-9-12;/h4-8,10H,3,11H2,1-2H3;/q-1;+1/b10-4-,14-13+;
InChIKeyFJSUZSXSMDSPNV-VBEJFRELSA-N
MW287.35 g/mol
LogP3.06
Rot. Bonds4

About (Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+)

(Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+) (PubChem CID 153361879) has the molecular formula C13H16NRu and a molecular weight of 287.35 g/mol. Its IUPAC name is (Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+).

Molecular Properties

Compound Name(Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+)
PubChem CID153361879
Molecular FormulaC13H16NRu
Molecular Weight287.35 g/mol
Exact Mass288.03
IUPAC Name(Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+)
SMILESCC/C=C\C(Cc1[c-]cccc1)=N/C.[Ru+]
InChIInChI=1S/C13H16N.Ru/c1-3-4-10-13(14-2)11-12-8-6-5-7-9-12;/h4-8,10H,3,11H2,1-2H3;/q-1;+1/b10-4-,14-13+;
InChIKeyFJSUZSXSMDSPNV-VBEJFRELSA-N
XLogP3.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+)?
The IUPAC name of (Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+) (CID 153361879) is (Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+).
What is the SMILES notation for (Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+)?
The canonical SMILES for (Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+) is CC/C=C\C(Cc1[c-]cccc1)=N/C.[Ru+].
What is the InChIKey of (Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+)?
The InChIKey is FJSUZSXSMDSPNV-VBEJFRELSA-N. The full InChI is InChI=1S/C13H16N.Ru/c1-3-4-10-13(14-2)11-12-8-6-5-7-9-12;/h4-8,10H,3,11H2,1-2H3;/q-1;+1/b10-4-,14-13+;.
What are the key properties of (Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+)?
(Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+) has a molecular weight of 287.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-phenylhex-3-en-2-imine;ruthenium(1+) is sourced from PubChem (CID 153361879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).