(8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel

C12H13NiO- — CID 134945587

IUPAC(8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel
SMILES[CH2-][C@@H]1c2ccccc2C2CC1(O)C2.[Ni]
InChIInChI=1S/C12H13O.Ni/c1-8-10-4-2-3-5-11(10)9-6-12(8,13)7-9;/h2-5,8-9,13H,1,6-7H2;/q-1;/t8-,9?,12?;/m1./s1
InChIKeyYRRYGYIHEVIAEN-OXZVMSIMSA-N
MW231.93 g/mol
LogP2.22
Rot. Bonds

About (8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel

(8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel (PubChem CID 134945587) has the molecular formula C12H13NiO- and a molecular weight of 231.93 g/mol. Its IUPAC name is (8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel.

Molecular Properties

Compound Name(8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel
PubChem CID134945587
Molecular FormulaC12H13NiO-
Molecular Weight231.93 g/mol
Exact Mass231.03
IUPAC Name(8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel
SMILES[CH2-][C@@H]1c2ccccc2C2CC1(O)C2.[Ni]
InChIInChI=1S/C12H13O.Ni/c1-8-10-4-2-3-5-11(10)9-6-12(8,13)7-9;/h2-5,8-9,13H,1,6-7H2;/q-1;/t8-,9?,12?;/m1./s1
InChIKeyYRRYGYIHEVIAEN-OXZVMSIMSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.93
LogP ≤ 52.22
H-Bond Donors ≤ 51
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 (8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel?
The IUPAC name of (8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel (CID 134945587) is (8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel.
What is the SMILES notation for (8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel?
The canonical SMILES for (8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel is [CH2-][C@@H]1c2ccccc2C2CC1(O)C2.[Ni].
What is the InChIKey of (8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel?
The InChIKey is YRRYGYIHEVIAEN-OXZVMSIMSA-N. The full InChI is InChI=1S/C12H13O.Ni/c1-8-10-4-2-3-5-11(10)9-6-12(8,13)7-9;/h2-5,8-9,13H,1,6-7H2;/q-1;/t8-,9?,12?;/m1./s1.
What are the key properties of (8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel?
(8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel has a molecular weight of 231.93 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel is sourced from PubChem (CID 134945587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).