(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol

C8H11NO — CID 126695369

IUPAC(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
SMILES[H]/N=C/C(=C/C=C)/C(O)=C\C
InChIInChI=1S/C8H11NO/c1-3-5-7(6-9)8(10)4-2/h3-6,9-10H,1H2,2H3/b7-5-,8-4+,9-6+
InChIKeyWEXKOXPAOTWXIA-ZCCWZBSASA-N
MW137.18 g/mol
LogP2.21
Rot. Bonds3

About (2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol

(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol (PubChem CID 126695369) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol.

Molecular Properties

Compound Name(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
PubChem CID126695369
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
SMILES[H]/N=C/C(=C/C=C)/C(O)=C\C
InChIInChI=1S/C8H11NO/c1-3-5-7(6-9)8(10)4-2/h3-6,9-10H,1H2,2H3/b7-5-,8-4+,9-6+
InChIKeyWEXKOXPAOTWXIA-ZCCWZBSASA-N
XLogP2.21
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 (2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol?
The IUPAC name of (2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol (CID 126695369) is (2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol.
What is the SMILES notation for (2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol?
The canonical SMILES for (2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol is [H]/N=C/C(=C/C=C)/C(O)=C\C.
What is the InChIKey of (2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol?
The InChIKey is WEXKOXPAOTWXIA-ZCCWZBSASA-N. The full InChI is InChI=1S/C8H11NO/c1-3-5-7(6-9)8(10)4-2/h3-6,9-10H,1H2,2H3/b7-5-,8-4+,9-6+.
What are the key properties of (2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol?
(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol has a molecular weight of 137.18 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol is sourced from PubChem (CID 126695369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).