(3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one

C11H18N2O2 — CID 136694783

IUPAC(3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one
SMILESCC(=O)C(=N/O)/C(C)=N/C1CCCCC1
InChIInChI=1S/C11H18N2O2/c1-8(11(13-15)9(2)14)12-10-6-4-3-5-7-10/h10,15H,3-7H2,1-2H3/b12-8+,13-11+
InChIKeyDTLOZWTUVDIQEC-UHSWXSRBSA-N
MW210.28 g/mol
LogP2.20
Rot. Bonds3

About (3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one

(3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one (PubChem CID 136694783) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one.

Molecular Properties

Compound Name(3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one
PubChem CID136694783
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one
SMILESCC(=O)C(=N/O)/C(C)=N/C1CCCCC1
InChIInChI=1S/C11H18N2O2/c1-8(11(13-15)9(2)14)12-10-6-4-3-5-7-10/h10,15H,3-7H2,1-2H3/b12-8+,13-11+
InChIKeyDTLOZWTUVDIQEC-UHSWXSRBSA-N
XLogP2.20
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.20
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

4-[2-(4-Oxopentan-2-ylideneamino)cyclohexyl]iminopentan-2-one
CID 91414954
4-(Cyclohexylimino)pentan-2-one
CID 20512965
4-[(1R,2R)-2-(4-oxopentan-2-ylideneamino)cyclohexyl]iminopentan-2-one
CID 102025416
2-Cyclohexyliminopentan-3-one
CID 141041761
ethane;4-[[(2Z)-2-hydroxyimino-3-iminopropylidene]amino]cyclohexan-1-one;hydrate
CID 155572258
3-Cyclohexyliminobutan-2-one
CID 21795196
4-[(1S,2S)-2-(4-oxopentan-2-ylideneamino)cyclohexyl]iminopentan-2-one
CID 102025417
4-Cyclohexylimino-3-hydroxyiminopentan-2-one
CID 135483297
(4E)-5-cyclohexyl-3-(hydroxyimino)-4-methyl-5-azapent-4-en-2-one
CID 135699326
4-(Cyclohexylamino)-3-nitrosobut-3-en-2-one
CID 137176234

Frequently Asked Questions

What is the IUPAC name of (3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one?
The IUPAC name of (3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one (CID 136694783) is (3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one.
What is the SMILES notation for (3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one?
The canonical SMILES for (3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one is CC(=O)C(=N/O)/C(C)=N/C1CCCCC1.
What is the InChIKey of (3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one?
The InChIKey is DTLOZWTUVDIQEC-UHSWXSRBSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(11(13-15)9(2)14)12-10-6-4-3-5-7-10/h10,15H,3-7H2,1-2H3/b12-8+,13-11+.
What are the key properties of (3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one?
(3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one has a molecular weight of 210.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-cyclohexylimino-3-hydroxyiminopentan-2-one is sourced from PubChem (CID 136694783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).