(5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one

C11H19NO2 — CID 122463678

IUPAC(5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one
SMILESCCC1(C)C(=O)/C(=N/O)C(C)C1(C)C
InChIInChI=1S/C11H19NO2/c1-6-11(5)9(13)8(12-14)7(2)10(11,3)4/h7,14H,6H2,1-5H3/b12-8+
InChIKeySDSSAOYLLVQFDM-XYOKQWHBSA-N
MW197.28 g/mol
LogP2.48
Rot. Bonds1

About (5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one

(5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one (PubChem CID 122463678) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one.

Molecular Properties

Compound Name(5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one
PubChem CID122463678
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one
SMILESCCC1(C)C(=O)/C(=N/O)C(C)C1(C)C
InChIInChI=1S/C11H19NO2/c1-6-11(5)9(13)8(12-14)7(2)10(11,3)4/h7,14H,6H2,1-5H3/b12-8+
InChIKeySDSSAOYLLVQFDM-XYOKQWHBSA-N
XLogP2.48
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one?
The IUPAC name of (5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one (CID 122463678) is (5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one.
What is the SMILES notation for (5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one?
The canonical SMILES for (5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one is CCC1(C)C(=O)/C(=N/O)C(C)C1(C)C.
What is the InChIKey of (5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one?
The InChIKey is SDSSAOYLLVQFDM-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H19NO2/c1-6-11(5)9(13)8(12-14)7(2)10(11,3)4/h7,14H,6H2,1-5H3/b12-8+.
What are the key properties of (5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one?
(5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one has a molecular weight of 197.28 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-ethyl-5-hydroxyimino-2,3,3,4-tetramethylcyclopentan-1-one is sourced from PubChem (CID 122463678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).