3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one

C17H13NO2 — CID 135436083

IUPAC3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one
SMILESCc1ccccc1/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO2/c1-11-6-2-5-9-15(11)18-10-14-16(19)12-7-3-4-8-13(12)17(14)20/h2-10,19H,1H3/b18-10+
InChIKeyPIIRFUHWRWGDOT-VCHYOVAHSA-N
MW263.30 g/mol
LogP3.86
Rot. Bonds2

About 3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one

3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one (PubChem CID 135436083) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one
PubChem CID135436083
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one
SMILESCc1ccccc1/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO2/c1-11-6-2-5-9-15(11)18-10-14-16(19)12-7-3-4-8-13(12)17(14)20/h2-10,19H,1H3/b18-10+
InChIKeyPIIRFUHWRWGDOT-VCHYOVAHSA-N
XLogP3.86
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.86
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-((phenylamino)methylene)-
CID 135416862
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
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
N-Benzylideneanthranilic acid
CID 21988
1H-Indene-1,3(2H)-dione, 2-[[(4-methoxyphenyl)amino]methylene]-
CID 135433820
2-[(2-Hydroxyanilino)methylidene]indene-1,3-dione
CID 135450216
2-{[(4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzoic acid
CID 135495414
1-Hydroxy-4-oxo-3-phenyliminonaphthalene-2-carboxylic acid
CID 136244220
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-[(2-methylphenyl)iminomethyl]inden-1-one?
The IUPAC name of 3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one (CID 135436083) is 3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one.
What is the SMILES notation for 3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one?
The canonical SMILES for 3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one is Cc1ccccc1/N=C/C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one?
The InChIKey is PIIRFUHWRWGDOT-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H13NO2/c1-11-6-2-5-9-15(11)18-10-14-16(19)12-7-3-4-8-13(12)17(14)20/h2-10,19H,1H3/b18-10+.
What are the key properties of 3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one?
3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one has a molecular weight of 263.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-methylphenyl)iminomethyl]inden-1-one is sourced from PubChem (CID 135436083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).