1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone

C17H14N2O2 — CID 3587554

IUPAC1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2c(O)[nH]c3ccccc23)c1
InChIInChI=1S/C17H14N2O2/c1-11(20)12-5-4-6-13(9-12)18-10-15-14-7-2-3-8-16(14)19-17(15)21/h2-10,19,21H,1H3/b18-10+
InChIKeyRQTDZYDXCWNZET-VCHYOVAHSA-N
MW278.31 g/mol
LogP3.83
Rot. Bonds3

About 1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone

1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone (PubChem CID 3587554) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
PubChem CID3587554
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2c(O)[nH]c3ccccc23)c1
InChIInChI=1S/C17H14N2O2/c1-11(20)12-5-4-6-13(9-12)18-10-15-14-7-2-3-8-16(14)19-17(15)21/h2-10,19,21H,1H3/b18-10+
InChIKeyRQTDZYDXCWNZET-VCHYOVAHSA-N
XLogP3.83
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.83
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

1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]methylideneamino]benzoic acid
CID 135971713
5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 877693
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
1-[3-[(1-methylindol-3-yl)methylideneamino]phenyl]ethanone
CID 23476824
3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605514
3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135605363
3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol
CID 168852579
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone (CID 3587554) is 1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone is CC(=O)c1cccc(/N=C/c2c(O)[nH]c3ccccc23)c1.
What is the InChIKey of 1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone?
The InChIKey is RQTDZYDXCWNZET-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11(20)12-5-4-6-13(9-12)18-10-15-14-7-2-3-8-16(14)19-17(15)21/h2-10,19,21H,1H3/b18-10+.
What are the key properties of 1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone?
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone has a molecular weight of 278.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone is sourced from PubChem (CID 3587554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).