(1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride

C16H22ClN2Rh- — CID 6442081

IUPAC(1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride
SMILESC1=C\CC/C=C\CC/1.CC/N=C/c1ccccn1.[Cl-].[Rh]
InChIInChI=1S/C8H10N2.C8H12.ClH.Rh/c1-2-9-7-8-5-3-4-6-10-8;1-2-4-6-8-7-5-3-1;;/h3-7H,2H2,1H3;1-2,7-8H,3-6H2;1H;/p-1/b9-7+;2-1-,8-7-;;
InChIKeyDKWWSBSOARYWOW-SZLRJTNLSA-M
MW380.73 g/mol
LogP1.19
Rot. Bonds2

About (1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride

(1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride (PubChem CID 6442081) has the molecular formula C16H22ClN2Rh- and a molecular weight of 380.73 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride.

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride
PubChem CID6442081
Molecular FormulaC16H22ClN2Rh-
Molecular Weight380.73 g/mol
Exact Mass380.05
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride
SMILESC1=C\CC/C=C\CC/1.CC/N=C/c1ccccn1.[Cl-].[Rh]
InChIInChI=1S/C8H10N2.C8H12.ClH.Rh/c1-2-9-7-8-5-3-4-6-10-8;1-2-4-6-8-7-5-3-1;;/h3-7H,2H2,1H3;1-2,7-8H,3-6H2;1H;/p-1/b9-7+;2-1-,8-7-;;
InChIKeyDKWWSBSOARYWOW-SZLRJTNLSA-M
XLogP1.19
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.73
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride (CID 6442081) is (1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride.
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride is C1=C\CC/C=C\CC/1.CC/N=C/c1ccccn1.[Cl-].[Rh].
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride?
The InChIKey is DKWWSBSOARYWOW-SZLRJTNLSA-M. The full InChI is InChI=1S/C8H10N2.C8H12.ClH.Rh/c1-2-9-7-8-5-3-4-6-10-8;1-2-4-6-8-7-5-3-1;;/h3-7H,2H2,1H3;1-2,7-8H,3-6H2;1H;/p-1/b9-7+;2-1-,8-7-;;.
What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride?
(1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride has a molecular weight of 380.73 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride is sourced from PubChem (CID 6442081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).