(Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide

C8H14N2O — CID 123914804

IUPAC(Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide
SMILESC/C=C(\C=C/CC)C(N)=NO
InChIInChI=1S/C8H14N2O/c1-3-5-6-7(4-2)8(9)10-11/h4-6,11H,3H2,1-2H3,(H2,9,10)/b6-5-,7-4+
InChIKeyXHSWBMZXEMUCIA-IUQJDUBZSA-N
MW154.21 g/mol
LogP1.65
Rot. Bonds3

About (Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide

(Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide (PubChem CID 123914804) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide
PubChem CID123914804
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide
SMILESC/C=C(\C=C/CC)C(N)=NO
InChIInChI=1S/C8H14N2O/c1-3-5-6-7(4-2)8(9)10-11/h4-6,11H,3H2,1-2H3,(H2,9,10)/b6-5-,7-4+
InChIKeyXHSWBMZXEMUCIA-IUQJDUBZSA-N
XLogP1.65
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide?
The IUPAC name of (Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide (CID 123914804) is (Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide.
What is the SMILES notation for (Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide?
The canonical SMILES for (Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide is C/C=C(\C=C/CC)C(N)=NO.
What is the InChIKey of (Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide?
The InChIKey is XHSWBMZXEMUCIA-IUQJDUBZSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-5-6-7(4-2)8(9)10-11/h4-6,11H,3H2,1-2H3,(H2,9,10)/b6-5-,7-4+.
What are the key properties of (Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide?
(Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide has a molecular weight of 154.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide is sourced from PubChem (CID 123914804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).