(2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one

C11H11NO2 — CID 172957517

IUPAC(2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one
SMILESCCc1ccc2c(c1)C/C(=N\O)C2=O
InChIInChI=1S/C11H11NO2/c1-2-7-3-4-9-8(5-7)6-10(12-14)11(9)13/h3-5,14H,2,6H2,1H3/b12-10+
InChIKeyGCNGTVGIBLLRTR-ZRDIBKRKSA-N
MW189.21 g/mol
LogP1.82
Rot. Bonds1

About (2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one

(2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one (PubChem CID 172957517) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one
PubChem CID172957517
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one
SMILESCCc1ccc2c(c1)C/C(=N\O)C2=O
InChIInChI=1S/C11H11NO2/c1-2-7-3-4-9-8(5-7)6-10(12-14)11(9)13/h3-5,14H,2,6H2,1H3/b12-10+
InChIKeyGCNGTVGIBLLRTR-ZRDIBKRKSA-N
XLogP1.82
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.82
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 (2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one?
The IUPAC name of (2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one (CID 172957517) is (2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one.
What is the SMILES notation for (2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one?
The canonical SMILES for (2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one is CCc1ccc2c(c1)C/C(=N\O)C2=O.
What is the InChIKey of (2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one?
The InChIKey is GCNGTVGIBLLRTR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-7-3-4-9-8(5-7)6-10(12-14)11(9)13/h3-5,14H,2,6H2,1H3/b12-10+.
What are the key properties of (2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one?
(2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one has a molecular weight of 189.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one is sourced from PubChem (CID 172957517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).