2-(ethyliminomethyl)-3-hydroxyinden-1-one

C12H11NO2 — CID 135416861

IUPAC2-(ethyliminomethyl)-3-hydroxyinden-1-one
SMILESCC/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C12H11NO2/c1-2-13-7-10-11(14)8-5-3-4-6-9(8)12(10)15/h3-7,14H,2H2,1H3/b13-7+
InChIKeyOHVOQNZDVKUVGC-NTUHNPAUSA-N
MW201.22 g/mol
LogP2.24
Rot. Bonds2

About 2-(ethyliminomethyl)-3-hydroxyinden-1-one

2-(ethyliminomethyl)-3-hydroxyinden-1-one (PubChem CID 135416861) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(ethyliminomethyl)-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-(ethyliminomethyl)-3-hydroxyinden-1-one
PubChem CID135416861
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-(ethyliminomethyl)-3-hydroxyinden-1-one
SMILESCC/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C12H11NO2/c1-2-13-7-10-11(14)8-5-3-4-6-9(8)12(10)15/h3-7,14H,2H2,1H3/b13-7+
InChIKeyOHVOQNZDVKUVGC-NTUHNPAUSA-N
XLogP2.24
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1H-Indene-1,3(2H)-dione, 2-(((2-methylpropyl)amino)methylene)-
CID 135442004
2-[(methylamino)methylene]-1H-indene-1,3(2H)-dione
CID 135416860
2-(1-{[3-(diethylamino)propyl]amino}ethylidene)-1H-indene-1,3(2H)-dione
CID 135411339
2-[1-(cyclohexylamino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135441997
(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)((2-hydroxyethyl)amino)acetonitrile
CID 135403621
1H-Indene-1,3(2H)-dione, 2-(((1-methylethyl)amino)methylene)-
CID 135416870
1H-Indene-1,3(2H)-dione, 2-(((cyclopropylmethyl)amino)methylene)-
CID 135489575
2-[1-(2,2-dimethylhydrazino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135401411
2-[(Cyclopropylamino)methylidene]-1h-indene-1,3(2h)-dione
CID 135410705
2-(1-{[3-(dimethylamino)propyl]amino}ethylidene)-1H-indene-1,3(2H)-dione
CID 135411296
2-{[3-(2-Oxo-pyrrolidin-1-yl)-propylamino]-methylene}-indan-1,3-dione
CID 135417047
2-(1-Cyclopropylamino-ethylidene)-indan-1,3-dione
CID 135421775

Frequently Asked Questions

What is the IUPAC name of 2-(ethyliminomethyl)-3-hydroxyinden-1-one?
The IUPAC name of 2-(ethyliminomethyl)-3-hydroxyinden-1-one (CID 135416861) is 2-(ethyliminomethyl)-3-hydroxyinden-1-one.
What is the SMILES notation for 2-(ethyliminomethyl)-3-hydroxyinden-1-one?
The canonical SMILES for 2-(ethyliminomethyl)-3-hydroxyinden-1-one is CC/N=C/C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 2-(ethyliminomethyl)-3-hydroxyinden-1-one?
The InChIKey is OHVOQNZDVKUVGC-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-13-7-10-11(14)8-5-3-4-6-9(8)12(10)15/h3-7,14H,2H2,1H3/b13-7+.
What are the key properties of 2-(ethyliminomethyl)-3-hydroxyinden-1-one?
2-(ethyliminomethyl)-3-hydroxyinden-1-one has a molecular weight of 201.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyliminomethyl)-3-hydroxyinden-1-one is sourced from PubChem (CID 135416861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).