2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal

C11H13NO2 — CID 136613128

IUPAC2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal
SMILESCC(C)(C=O)/N=C/c1ccccc1O
InChIInChI=1S/C11H13NO2/c1-11(2,8-13)12-7-9-5-3-4-6-10(9)14/h3-8,14H,1-2H3/b12-7+
InChIKeyHBPSAKIZMZCXJR-KPKJPENVSA-N
MW191.23 g/mol
LogP1.79
Rot. Bonds3

About 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal

2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal (PubChem CID 136613128) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal
PubChem CID136613128
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal
SMILESCC(C)(C=O)/N=C/c1ccccc1O
InChIInChI=1S/C11H13NO2/c1-11(2,8-13)12-7-9-5-3-4-6-10(9)14/h3-8,14H,1-2H3/b12-7+
InChIKeyHBPSAKIZMZCXJR-KPKJPENVSA-N
XLogP1.79
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylbutan-2-yliminomethyl)phenol
CID 153389272
2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate
CID 136744013
methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
CID 136898417
2-[(E)-trifluoromethyliminomethyl]phenol
CID 177436238
zinc 2-(methyliminomethyl)phenol
CID 135422153
ethane;2-(methyliminomethyl)phenol
CID 136650397
CID 155704691
CID 155704691
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-(tripyridin-2-ylmethyliminomethyl)phenol
CID 136611669
2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
CID 173045611
ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+)
CID 135860591
CID 158421076
CID 158421076

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal?
The IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal (CID 136613128) is 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal is CC(C)(C=O)/N=C/c1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal?
The InChIKey is HBPSAKIZMZCXJR-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2,8-13)12-7-9-5-3-4-6-10(9)14/h3-8,14H,1-2H3/b12-7+.
What are the key properties of 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal?
2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal has a molecular weight of 191.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal is sourced from PubChem (CID 136613128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).