6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

C16H16N2O3 — CID 173276549

IUPAC6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1=CN(O)CC/N=C/c1ccccc1O
InChIInChI=1S/C16H16N2O3/c19-15-7-3-1-5-13(15)11-17-9-10-18(21)12-14-6-2-4-8-16(14)20/h1-8,11-12,19,21H,9-10H2/b14-12?,17-11+
InChIKeyZDICEHOWJHIXLI-OEVDRRDCSA-N
MW284.32 g/mol
LogP2.08
Rot. Bonds5

About 6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 173276549) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID173276549
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1=CN(O)CC/N=C/c1ccccc1O
InChIInChI=1S/C16H16N2O3/c19-15-7-3-1-5-13(15)11-17-9-10-18(21)12-14-6-2-4-8-16(14)20/h1-8,11-12,19,21H,9-10H2/b14-12?,17-11+
InChIKeyZDICEHOWJHIXLI-OEVDRRDCSA-N
XLogP2.08
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one (CID 173276549) is 6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=CC1=CN(O)CC/N=C/c1ccccc1O.
What is the InChIKey of 6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is ZDICEHOWJHIXLI-OEVDRRDCSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15-7-3-1-5-13(15)11-17-9-10-18(21)12-14-6-2-4-8-16(14)20/h1-8,11-12,19,21H,9-10H2/b14-12?,17-11+.
What are the key properties of 6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 284.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 173276549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).