(5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one

C11H15NO2 — CID 163911852

IUPAC(5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one
SMILESC/C=C1/C(=NO)C(=O)C=CC1(C)CC
InChIInChI=1S/C11H15NO2/c1-4-8-10(12-14)9(13)6-7-11(8,3)5-2/h4,6-7,14H,5H2,1-3H3/b8-4-,12-10?
InChIKeyOIQOEGNHSYUNLB-UFQGTVQISA-N
MW193.25 g/mol
LogP2.32
Rot. Bonds1

About (5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one

(5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one (PubChem CID 163911852) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one
PubChem CID163911852
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one
SMILESC/C=C1/C(=NO)C(=O)C=CC1(C)CC
InChIInChI=1S/C11H15NO2/c1-4-8-10(12-14)9(13)6-7-11(8,3)5-2/h4,6-7,14H,5H2,1-3H3/b8-4-,12-10?
InChIKeyOIQOEGNHSYUNLB-UFQGTVQISA-N
XLogP2.32
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.32
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)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one?
The IUPAC name of (5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one (CID 163911852) is (5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one.
What is the SMILES notation for (5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one?
The canonical SMILES for (5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one is C/C=C1/C(=NO)C(=O)C=CC1(C)CC.
What is the InChIKey of (5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one?
The InChIKey is OIQOEGNHSYUNLB-UFQGTVQISA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-8-10(12-14)9(13)6-7-11(8,3)5-2/h4,6-7,14H,5H2,1-3H3/b8-4-,12-10?.
What are the key properties of (5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one?
(5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one has a molecular weight of 193.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-ethyl-5-ethylidene-6-hydroxyimino-4-methylcyclohex-2-en-1-one is sourced from PubChem (CID 163911852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).