2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate

C11H13NO3-2 — CID 136744013

IUPAC2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate
SMILESCC(C[O-])(C[O-])/N=C/c1ccccc1O
InChIInChI=1S/C11H13NO3/c1-11(7-13,8-14)12-6-9-4-2-3-5-10(9)15/h2-6,15H,7-8H2,1H3/q-2/b12-6+
InChIKeyZMEQAFWMRITPDP-WUXMJOGZSA-N
MW207.23 g/mol
LogP-0.71
Rot. Bonds4

About 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate

2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate (PubChem CID 136744013) has the molecular formula C11H13NO3-2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate
PubChem CID136744013
Molecular FormulaC11H13NO3-2
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate
SMILESCC(C[O-])(C[O-])/N=C/c1ccccc1O
InChIInChI=1S/C11H13NO3/c1-11(7-13,8-14)12-6-9-4-2-3-5-10(9)15/h2-6,15H,7-8H2,1H3/q-2/b12-6+
InChIKeyZMEQAFWMRITPDP-WUXMJOGZSA-N
XLogP-0.71
TPSA78.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylbutan-2-yliminomethyl)phenol
CID 153389272
2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal
CID 136613128
2-[(E)-trifluoromethyliminomethyl]phenol
CID 177436238
methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
CID 136898417
zinc 2-(methyliminomethyl)phenol
CID 135422153
ethane;2-(methyliminomethyl)phenol
CID 136650397
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
CID 155704691
CID 155704691
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate?
The IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate (CID 136744013) is 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate is CC(C[O-])(C[O-])/N=C/c1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate?
The InChIKey is ZMEQAFWMRITPDP-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H13NO3/c1-11(7-13,8-14)12-6-9-4-2-3-5-10(9)15/h2-6,15H,7-8H2,1H3/q-2/b12-6+.
What are the key properties of 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate?
2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate has a molecular weight of 207.23 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate is sourced from PubChem (CID 136744013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).