3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one

C18H15NO2 — CID 135470873

IUPAC3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one
SMILESO=C1C(/C=N/CCc2ccccc2)=C(O)c2ccccc21
InChIInChI=1S/C18H15NO2/c20-17-14-8-4-5-9-15(14)18(21)16(17)12-19-11-10-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2/b19-12+
InChIKeyNYWXOALGAVQMRP-XDHOZWIPSA-N
MW277.32 g/mol
LogP3.47
Rot. Bonds4

About 3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one

3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one (PubChem CID 135470873) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one
PubChem CID135470873
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one
SMILESO=C1C(/C=N/CCc2ccccc2)=C(O)c2ccccc21
InChIInChI=1S/C18H15NO2/c20-17-14-8-4-5-9-15(14)18(21)16(17)12-19-11-10-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2/b19-12+
InChIKeyNYWXOALGAVQMRP-XDHOZWIPSA-N
XLogP3.47
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.47
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
1H-Indene-1,3(2H)-dione, 2-((phenylamino)methylene)-
CID 135416862
1H-Indene-1,3(2H)-dione, 2-[[(methylphenyl)amino]methylene]-
CID 135436083
2-{[(4-fluorophenyl)amino]methylidene}-2,3-dihydro-1H-indene-1,3-dione
CID 135455120
2-[1-(cyclohexylamino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135441997
1H-Indene-1,3(2H)-dione, 2-((ethylamino)methylene)-
CID 135416861
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-[(cyclopropylamino)methylene]-1H-indene-1,3(2H)-dione
CID 135410705
2-[1-(cyclopropylamino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135421775
2-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-1H-indene-1,3(2H)-dione
CID 135423538

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one?
The IUPAC name of 3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one (CID 135470873) is 3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one.
What is the SMILES notation for 3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one?
The canonical SMILES for 3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one is O=C1C(/C=N/CCc2ccccc2)=C(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one?
The InChIKey is NYWXOALGAVQMRP-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H15NO2/c20-17-14-8-4-5-9-15(14)18(21)16(17)12-19-11-10-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2/b19-12+.
What are the key properties of 3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one?
3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one has a molecular weight of 277.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-phenylethyliminomethyl)inden-1-one is sourced from PubChem (CID 135470873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).