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

C16H11NO2 — CID 135416862

IUPAC3-hydroxy-2-(phenyliminomethyl)inden-1-one
SMILESO=C1C(/C=N/c2ccccc2)=C(O)c2ccccc21
InChIInChI=1S/C16H11NO2/c18-15-12-8-4-5-9-13(12)16(19)14(15)10-17-11-6-2-1-3-7-11/h1-10,18H/b17-10+
InChIKeyYCFPANWURAKUJX-LICLKQGHSA-N
MW249.27 g/mol
LogP3.55
Rot. Bonds2

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

3-hydroxy-2-(phenyliminomethyl)inden-1-one (PubChem CID 135416862) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-hydroxy-2-(phenyliminomethyl)inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(phenyliminomethyl)inden-1-one
PubChem CID135416862
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name3-hydroxy-2-(phenyliminomethyl)inden-1-one
SMILESO=C1C(/C=N/c2ccccc2)=C(O)c2ccccc21
InChIInChI=1S/C16H11NO2/c18-15-12-8-4-5-9-13(12)16(19)14(15)10-17-11-6-2-1-3-7-11/h1-10,18H/b17-10+
InChIKeyYCFPANWURAKUJX-LICLKQGHSA-N
XLogP3.55
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.55
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

Alpha-(3-acetylphenylimino)-O-cresol
CID 272275
2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-dione
CID 135417048
4-{[(1,3-Dioxocyclopenta[3,4-a]benzen-2-ylidene)methyl]amino}benzenesulfonamid e
CID 135456482
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
11H-Dibenzo[b,e]azepine-10-carboxylic acid
CID 42635159
2-[(2-Hydroxy-5-methylanilino)methylidene]indene-1,3-dione
CID 135406177
1H-Indene-1,3(2H)-dione, 2-[[(4-methoxyphenyl)amino]methylene]-
CID 135433820
2-[(2-Hydroxyanilino)methylidene]indene-1,3-dione
CID 135450216
1-Hydroxy-4-oxo-3-phenyliminonaphthalene-2-carboxylic acid
CID 136244220
2-[(2-Hydroxyphenyl)iminomethyl]benzoic acid
CID 15789821
2-(1,3-Dioxocyclopenta[3,4-a]benzen-2-ylidene)-2-[(3-fluorophenyl)amino]ethane nitrile
CID 135441651

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(phenyliminomethyl)inden-1-one?
The IUPAC name of 3-hydroxy-2-(phenyliminomethyl)inden-1-one (CID 135416862) is 3-hydroxy-2-(phenyliminomethyl)inden-1-one.
What is the SMILES notation for 3-hydroxy-2-(phenyliminomethyl)inden-1-one?
The canonical SMILES for 3-hydroxy-2-(phenyliminomethyl)inden-1-one is O=C1C(/C=N/c2ccccc2)=C(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-2-(phenyliminomethyl)inden-1-one?
The InChIKey is YCFPANWURAKUJX-LICLKQGHSA-N. The full InChI is InChI=1S/C16H11NO2/c18-15-12-8-4-5-9-13(12)16(19)14(15)10-17-11-6-2-1-3-7-11/h1-10,18H/b17-10+.
What are the key properties of 3-hydroxy-2-(phenyliminomethyl)inden-1-one?
3-hydroxy-2-(phenyliminomethyl)inden-1-one has a molecular weight of 249.27 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(phenyliminomethyl)inden-1-one is sourced from PubChem (CID 135416862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).