(Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide

C12H22N2O — CID 89267687

IUPAC(Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide
SMILESC/C=C(\C=C/CCCC(C)C)C(/N)=N/O
InChIInChI=1S/C12H22N2O/c1-4-11(12(13)14-15)9-7-5-6-8-10(2)3/h4,7,9-10,15H,5-6,8H2,1-3H3,(H2,13,14)/b9-7-,11-4+
InChIKeyJUZBKYXTMBIMCB-WHIYXEERSA-N
MW210.32 g/mol
LogP3.06
Rot. Bonds6

About (Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide

(Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide (PubChem CID 89267687) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide
PubChem CID89267687
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide
SMILESC/C=C(\C=C/CCCC(C)C)C(/N)=N/O
InChIInChI=1S/C12H22N2O/c1-4-11(12(13)14-15)9-7-5-6-8-10(2)3/h4,7,9-10,15H,5-6,8H2,1-3H3,(H2,13,14)/b9-7-,11-4+
InChIKeyJUZBKYXTMBIMCB-WHIYXEERSA-N
XLogP3.06
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide?
The IUPAC name of (Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide (CID 89267687) is (Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide.
What is the SMILES notation for (Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide?
The canonical SMILES for (Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide is C/C=C(\C=C/CCCC(C)C)C(/N)=N/O.
What is the InChIKey of (Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide?
The InChIKey is JUZBKYXTMBIMCB-WHIYXEERSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-11(12(13)14-15)9-7-5-6-8-10(2)3/h4,7,9-10,15H,5-6,8H2,1-3H3,(H2,13,14)/b9-7-,11-4+.
What are the key properties of (Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide?
(Z,2E)-2-ethylidene-N'-hydroxy-8-methylnon-3-enimidamide has a molecular weight of 210.32 g/mol, XLogP of 3.06, 6 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'-hydroxy-8-methylnon-3-enimidamide is sourced from PubChem (CID 89267687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).