(3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one

C6H11N3O2 — CID 137270848

IUPAC(3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one
SMILESCC(=O)C(/C=N/N(C)C)=N\O
InChIInChI=1S/C6H11N3O2/c1-5(10)6(8-11)4-7-9(2)3/h4,11H,1-3H3/b7-4+,8-6-
InChIKeyAAFUGJSTJCEPCU-MTCKZIEXSA-N
MW157.17 g/mol
LogP-0.05
Rot. Bonds3

About (3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one

(3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one (PubChem CID 137270848) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one.

Molecular Properties

Compound Name(3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one
PubChem CID137270848
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one
SMILESCC(=O)C(/C=N/N(C)C)=N\O
InChIInChI=1S/C6H11N3O2/c1-5(10)6(8-11)4-7-9(2)3/h4,11H,1-3H3/b7-4+,8-6-
InChIKeyAAFUGJSTJCEPCU-MTCKZIEXSA-N
XLogP-0.05
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one?
The IUPAC name of (3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one (CID 137270848) is (3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one.
What is the SMILES notation for (3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one?
The canonical SMILES for (3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one is CC(=O)C(/C=N/N(C)C)=N\O.
What is the InChIKey of (3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one?
The InChIKey is AAFUGJSTJCEPCU-MTCKZIEXSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-5(10)6(8-11)4-7-9(2)3/h4,11H,1-3H3/b7-4+,8-6-.
What are the key properties of (3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one?
(3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one has a molecular weight of 157.17 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4E)-4-(dimethylhydrazinylidene)-3-hydroxyiminobutan-2-one is sourced from PubChem (CID 137270848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).