(3E,5Z)-1-iminoocta-3,5,7-trien-3-ol

C8H11NO — CID 118234218

IUPAC(3E,5Z)-1-iminoocta-3,5,7-trien-3-ol
SMILES[H]/N=C/C/C(O)=C\C=C/C=C
InChIInChI=1S/C8H11NO/c1-2-3-4-5-8(10)6-7-9/h2-5,7,9-10H,1,6H2/b4-3-,8-5+,9-7+
InChIKeyCBTTWBOCNMYFKA-VQWAGYIOSA-N
MW137.18 g/mol
LogP2.21
Rot. Bonds4

About (3E,5Z)-1-iminoocta-3,5,7-trien-3-ol

(3E,5Z)-1-iminoocta-3,5,7-trien-3-ol (PubChem CID 118234218) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (3E,5Z)-1-iminoocta-3,5,7-trien-3-ol.

Molecular Properties

Compound Name(3E,5Z)-1-iminoocta-3,5,7-trien-3-ol
PubChem CID118234218
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(3E,5Z)-1-iminoocta-3,5,7-trien-3-ol
SMILES[H]/N=C/C/C(O)=C\C=C/C=C
InChIInChI=1S/C8H11NO/c1-2-3-4-5-8(10)6-7-9/h2-5,7,9-10H,1,6H2/b4-3-,8-5+,9-7+
InChIKeyCBTTWBOCNMYFKA-VQWAGYIOSA-N
XLogP2.21
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-1-iminoocta-3,5,7-trien-3-ol?
The IUPAC name of (3E,5Z)-1-iminoocta-3,5,7-trien-3-ol (CID 118234218) is (3E,5Z)-1-iminoocta-3,5,7-trien-3-ol.
What is the SMILES notation for (3E,5Z)-1-iminoocta-3,5,7-trien-3-ol?
The canonical SMILES for (3E,5Z)-1-iminoocta-3,5,7-trien-3-ol is [H]/N=C/C/C(O)=C\C=C/C=C.
What is the InChIKey of (3E,5Z)-1-iminoocta-3,5,7-trien-3-ol?
The InChIKey is CBTTWBOCNMYFKA-VQWAGYIOSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-4-5-8(10)6-7-9/h2-5,7,9-10H,1,6H2/b4-3-,8-5+,9-7+.
What are the key properties of (3E,5Z)-1-iminoocta-3,5,7-trien-3-ol?
(3E,5Z)-1-iminoocta-3,5,7-trien-3-ol has a molecular weight of 137.18 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-1-iminoocta-3,5,7-trien-3-ol is sourced from PubChem (CID 118234218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).