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

C8H12N2O — CID 123801312

IUPAC(3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide
SMILESC=C(C)/C=C\C(=C)C(N)=NO
InChIInChI=1S/C8H12N2O/c1-6(2)4-5-7(3)8(9)10-11/h4-5,11H,1,3H2,2H3,(H2,9,10)/b5-4-
InChIKeyHWPRTBNNTIUVBV-PLNGDYQASA-N
MW152.20 g/mol
LogP1.42
Rot. Bonds3

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

(3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide (PubChem CID 123801312) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide.

Molecular Properties

Compound Name(3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide
PubChem CID123801312
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide
SMILESC=C(C)/C=C\C(=C)C(N)=NO
InChIInChI=1S/C8H12N2O/c1-6(2)4-5-7(3)8(9)10-11/h4-5,11H,1,3H2,2H3,(H2,9,10)/b5-4-
InChIKeyHWPRTBNNTIUVBV-PLNGDYQASA-N
XLogP1.42
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.42
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)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide?
The IUPAC name of (3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide (CID 123801312) is (3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide.
What is the SMILES notation for (3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide?
The canonical SMILES for (3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide is C=C(C)/C=C\C(=C)C(N)=NO.
What is the InChIKey of (3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide?
The InChIKey is HWPRTBNNTIUVBV-PLNGDYQASA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)4-5-7(3)8(9)10-11/h4-5,11H,1,3H2,2H3,(H2,9,10)/b5-4-.
What are the key properties of (3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide?
(3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide has a molecular weight of 152.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide is sourced from PubChem (CID 123801312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).