(2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol

C10H15NO — CID 142163410

IUPAC(2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol
SMILESC/C=C\C=N\C(=C/C=C/C)CO
InChIInChI=1S/C10H15NO/c1-3-5-7-10(9-12)11-8-6-4-2/h3-8,12H,9H2,1-2H3/b5-3+,6-4-,10-7-,11-8+
InChIKeyJQSULTXSMHFURE-ZPWDPMPTSA-N
MW165.24 g/mol
LogP2.09
Rot. Bonds4

About (2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol

(2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol (PubChem CID 142163410) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol
PubChem CID142163410
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol
SMILESC/C=C\C=N\C(=C/C=C/C)CO
InChIInChI=1S/C10H15NO/c1-3-5-7-10(9-12)11-8-6-4-2/h3-8,12H,9H2,1-2H3/b5-3+,6-4-,10-7-,11-8+
InChIKeyJQSULTXSMHFURE-ZPWDPMPTSA-N
XLogP2.09
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
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)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol?
The IUPAC name of (2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol (CID 142163410) is (2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol.
What is the SMILES notation for (2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol?
The canonical SMILES for (2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol is C/C=C\C=N\C(=C/C=C/C)CO.
What is the InChIKey of (2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol?
The InChIKey is JQSULTXSMHFURE-ZPWDPMPTSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-7-10(9-12)11-8-6-4-2/h3-8,12H,9H2,1-2H3/b5-3+,6-4-,10-7-,11-8+.
What are the key properties of (2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol?
(2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol has a molecular weight of 165.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol is sourced from PubChem (CID 142163410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).