3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one

C16H14N2O2 — CID 90746792

IUPAC3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1C(/C=N/c1ccc(O)cc1)C(=O)N2
InChIInChI=1S/C16H14N2O2/c1-10-3-2-4-14-15(10)13(16(20)18-14)9-17-11-5-7-12(19)8-6-11/h2-9,13,19H,1H3,(H,18,20)/b17-9+
InChIKeyCJFXSUKMHFGTFB-RQZCQDPDSA-N
MW266.30 g/mol
LogP3.14
Rot. Bonds2

About 3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one

3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one (PubChem CID 90746792) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one
PubChem CID90746792
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1C(/C=N/c1ccc(O)cc1)C(=O)N2
InChIInChI=1S/C16H14N2O2/c1-10-3-2-4-14-15(10)13(16(20)18-14)9-17-11-5-7-12(19)8-6-11/h2-9,13,19H,1H3,(H,18,20)/b17-9+
InChIKeyCJFXSUKMHFGTFB-RQZCQDPDSA-N
XLogP3.14
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
CID 91536921
3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one
CID 91553444
4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91542363
4-methyl-3-[[4-(4-piperidin-1-ylbutoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90702965
4-methyl-3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90985544
3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90708413
3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91059431
3-[[3-fluoro-4-(pyridin-4-ylmethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 90819034
3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91213429
3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91126660
4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91616986
3-[[4-[butyl(ethyl)amino]-3-(trifluoromethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91213381

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one (CID 90746792) is 3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one is Cc1cccc2c1C(/C=N/c1ccc(O)cc1)C(=O)N2.
What is the InChIKey of 3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
The InChIKey is CJFXSUKMHFGTFB-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-3-2-4-14-15(10)13(16(20)18-14)9-17-11-5-7-12(19)8-6-11/h2-9,13,19H,1H3,(H,18,20)/b17-9+.
What are the key properties of 3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 90746792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).