(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol

C7H11NO — CID 131998269

IUPAC(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol
SMILES[H]/N=C/C(/C=C\CO)=C/C
InChIInChI=1S/C7H11NO/c1-2-7(6-8)4-3-5-9/h2-4,6,8-9H,5H2,1H3/b4-3-,7-2+,8-6+
InChIKeySXQKXEOOTWJJEM-CLVPLPJCSA-N
MW125.17 g/mol
LogP1.13
Rot. Bonds3

About (2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol

(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol (PubChem CID 131998269) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol
PubChem CID131998269
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol
SMILES[H]/N=C/C(/C=C\CO)=C/C
InChIInChI=1S/C7H11NO/c1-2-7(6-8)4-3-5-9/h2-4,6,8-9H,5H2,1H3/b4-3-,7-2+,8-6+
InChIKeySXQKXEOOTWJJEM-CLVPLPJCSA-N
XLogP1.13
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol?
The IUPAC name of (2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol (CID 131998269) is (2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol.
What is the SMILES notation for (2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol?
The canonical SMILES for (2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol is [H]/N=C/C(/C=C\CO)=C/C.
What is the InChIKey of (2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol?
The InChIKey is SXQKXEOOTWJJEM-CLVPLPJCSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7(6-8)4-3-5-9/h2-4,6,8-9H,5H2,1H3/b4-3-,7-2+,8-6+.
What are the key properties of (2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol?
(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol is sourced from PubChem (CID 131998269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).