(3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide

C9H14N2O — CID 89358905

IUPAC(3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide
SMILESC=C(/C=C\C(C)=C/C)C(N)=NO
InChIInChI=1S/C9H14N2O/c1-4-7(2)5-6-8(3)9(10)11-12/h4-6,12H,3H2,1-2H3,(H2,10,11)/b6-5-,7-4-
InChIKeyHCFPMCQPJUTWRB-RNPBPNGMSA-N
MW166.22 g/mol
LogP1.81
Rot. Bonds3

About (3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide

(3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide (PubChem CID 89358905) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide.

Molecular Properties

Compound Name(3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide
PubChem CID89358905
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide
SMILESC=C(/C=C\C(C)=C/C)C(N)=NO
InChIInChI=1S/C9H14N2O/c1-4-7(2)5-6-8(3)9(10)11-12/h4-6,12H,3H2,1-2H3,(H2,10,11)/b6-5-,7-4-
InChIKeyHCFPMCQPJUTWRB-RNPBPNGMSA-N
XLogP1.81
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.81
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 (3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide?
The IUPAC name of (3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide (CID 89358905) is (3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide.
What is the SMILES notation for (3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide?
The canonical SMILES for (3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide is C=C(/C=C\C(C)=C/C)C(N)=NO.
What is the InChIKey of (3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide?
The InChIKey is HCFPMCQPJUTWRB-RNPBPNGMSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-7(2)5-6-8(3)9(10)11-12/h4-6,12H,3H2,1-2H3,(H2,10,11)/b6-5-,7-4-.
What are the key properties of (3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide?
(3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide has a molecular weight of 166.22 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide is sourced from PubChem (CID 89358905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).