(4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide

C11H17NO2 — CID 126611983

IUPAC(4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide
SMILESC=C/C=C\C(=C/C)CC(C)C(=O)NO
InChIInChI=1S/C11H17NO2/c1-4-6-7-10(5-2)8-9(3)11(13)12-14/h4-7,9,14H,1,8H2,2-3H3,(H,12,13)/b7-6-,10-5+
InChIKeyIBUMXRIBZMCGQJ-JQEGGOPCSA-N
MW195.26 g/mol
LogP2.21
Rot. Bonds5

About (4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide

(4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide (PubChem CID 126611983) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide.

Molecular Properties

Compound Name(4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide
PubChem CID126611983
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide
SMILESC=C/C=C\C(=C/C)CC(C)C(=O)NO
InChIInChI=1S/C11H17NO2/c1-4-6-7-10(5-2)8-9(3)11(13)12-14/h4-7,9,14H,1,8H2,2-3H3,(H,12,13)/b7-6-,10-5+
InChIKeyIBUMXRIBZMCGQJ-JQEGGOPCSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 (4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide?
The IUPAC name of (4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide (CID 126611983) is (4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide.
What is the SMILES notation for (4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide?
The canonical SMILES for (4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide is C=C/C=C\C(=C/C)CC(C)C(=O)NO.
What is the InChIKey of (4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide?
The InChIKey is IBUMXRIBZMCGQJ-JQEGGOPCSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-6-7-10(5-2)8-9(3)11(13)12-14/h4-7,9,14H,1,8H2,2-3H3,(H,12,13)/b7-6-,10-5+.
What are the key properties of (4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide?
(4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide has a molecular weight of 195.26 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-4-ethylidene-N-hydroxy-2-methylocta-5,7-dienamide is sourced from PubChem (CID 126611983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).