[(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol

C9H11NO — CID 123288429

IUPAC[(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol
SMILES[H]/N=C1\C=C/C=C\C/C=C\1CO
InChIInChI=1S/C9H11NO/c10-9-6-4-2-1-3-5-8(9)7-11/h1-2,4-6,10-11H,3,7H2/b2-1-,6-4-,8-5-,10-9+
InChIKeyPBLWXRLCJNOIDZ-PWINEWMFSA-N
MW149.19 g/mol
LogP1.44
Rot. Bonds1

About [(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol

[(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol (PubChem CID 123288429) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is [(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol.

Molecular Properties

Compound Name[(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol
PubChem CID123288429
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name[(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol
SMILES[H]/N=C1\C=C/C=C\C/C=C\1CO
InChIInChI=1S/C9H11NO/c10-9-6-4-2-1-3-5-8(9)7-11/h1-2,4-6,10-11H,3,7H2/b2-1-,6-4-,8-5-,10-9+
InChIKeyPBLWXRLCJNOIDZ-PWINEWMFSA-N
XLogP1.44
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohepta-1,4,6-trien-1-ol;propane
CID 143919108
(1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
CID 145302815
(3,4-diiminocyclohexa-1,5-dien-1-yl)methanol
CID 145492707
(4Z,6Z)-8H-cyclopenta[8]annulene
CID 136672977
cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol
CID 22447054
(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-[2-(trimethylazaniumyl)ethoxy]methanolate;hydroiodide
CID 138398554
cyclohepta-1,4,6-trien-1-ylmethyl hydrogen carbonate
CID 143297342
6-sulfonylcyclohexa-2,4-dien-1-imine
CID 141423215
(2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol
CID 155589326
cyclohexa-3,5-diene-1,2-diimine;(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
CID 143547651
N-cyclohepta-1,4,6-trien-1-ylacetamide
CID 142183927
(6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 89086016

Frequently Asked Questions

What is the IUPAC name of [(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol?
The IUPAC name of [(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol (CID 123288429) is [(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol.
What is the SMILES notation for [(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol?
The canonical SMILES for [(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol is [H]/N=C1\C=C/C=C\C/C=C\1CO.
What is the InChIKey of [(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol?
The InChIKey is PBLWXRLCJNOIDZ-PWINEWMFSA-N. The full InChI is InChI=1S/C9H11NO/c10-9-6-4-2-1-3-5-8(9)7-11/h1-2,4-6,10-11H,3,7H2/b2-1-,6-4-,8-5-,10-9+.
What are the key properties of [(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol?
[(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol has a molecular weight of 149.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol is sourced from PubChem (CID 123288429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).