(3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one

C10H16N2O2 — CID 137176234

IUPAC(3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one
SMILESCC(=O)C(/C=N/C1CCCCC1)=N\O
InChIInChI=1S/C10H16N2O2/c1-8(13)10(12-14)7-11-9-5-3-2-4-6-9/h7,9,14H,2-6H2,1H3/b11-7+,12-10-
InChIKeyVJWHKRRVCJAYSG-LBNSGORRSA-N
MW196.25 g/mol
LogP1.81
Rot. Bonds3

About (3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one

(3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one (PubChem CID 137176234) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one.

Molecular Properties

Compound Name(3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one
PubChem CID137176234
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one
SMILESCC(=O)C(/C=N/C1CCCCC1)=N\O
InChIInChI=1S/C10H16N2O2/c1-8(13)10(12-14)7-11-9-5-3-2-4-6-9/h7,9,14H,2-6H2,1H3/b11-7+,12-10-
InChIKeyVJWHKRRVCJAYSG-LBNSGORRSA-N
XLogP1.81
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

ethane;4-[[(2Z)-2-hydroxyimino-3-iminopropylidene]amino]cyclohexan-1-one;hydrate
CID 155572258
4-Cyclohexylimino-3-hydroxyiminopentan-2-one
CID 135483297
(4E)-5-cyclohexyl-3-(hydroxyimino)-4-methyl-5-azapent-4-en-2-one
CID 135699326
(3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one
CID 136694783

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one?
The IUPAC name of (3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one (CID 137176234) is (3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one.
What is the SMILES notation for (3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one?
The canonical SMILES for (3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one is CC(=O)C(/C=N/C1CCCCC1)=N\O.
What is the InChIKey of (3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one?
The InChIKey is VJWHKRRVCJAYSG-LBNSGORRSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(13)10(12-14)7-11-9-5-3-2-4-6-9/h7,9,14H,2-6H2,1H3/b11-7+,12-10-.
What are the key properties of (3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one?
(3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-cyclohexylimino-3-hydroxyiminobutan-2-one is sourced from PubChem (CID 137176234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).