1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone

C17H16N2O2 — CID 3600435

IUPAC1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(/N=C/c3ccc(O)cc3)ccc21
InChIInChI=1S/C17H16N2O2/c1-12(20)19-9-8-14-10-15(4-7-17(14)19)18-11-13-2-5-16(21)6-3-13/h2-7,10-11,21H,8-9H2,1H3/b18-11+
InChIKeyDROLAGZHQVQNLU-WOJGMQOQSA-N
MW280.33 g/mol
LogP3.05
Rot. Bonds2

About 1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone

1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 3600435) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID3600435
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(/N=C/c3ccc(O)cc3)ccc21
InChIInChI=1S/C17H16N2O2/c1-12(20)19-9-8-14-10-15(4-7-17(14)19)18-11-13-2-5-16(21)6-3-13/h2-7,10-11,21H,8-9H2,1H3/b18-11+
InChIKeyDROLAGZHQVQNLU-WOJGMQOQSA-N
XLogP3.05
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-acetyl-2,3-dihydroindol-5-yl)iminomethyl]-6-nitrophenolate
CID 6940310
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
(E)-3-(1-acetyl-2,3-dihydroindol-6-yl)prop-2-enoic acid
CID 70687221
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)but-3-enyl]acetamide
CID 170489483
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc
CID 145441295
1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 135876242
4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one
CID 1042752
sodium 1-acetyl-2,3-dihydroindole-5-sulfinate
CID 114287127
1-[5-(hydroxymethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone
CID 117033391

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone (CID 3600435) is 1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(/N=C/c3ccc(O)cc3)ccc21.
What is the InChIKey of 1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is DROLAGZHQVQNLU-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(20)19-9-8-14-10-15(4-7-17(14)19)18-11-13-2-5-16(21)6-3-13/h2-7,10-11,21H,8-9H2,1H3/b18-11+.
What are the key properties of 1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 280.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 3600435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).