3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde

C9H10N2O — CID 143117219

IUPAC3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde
SMILESC=NNc1ccc(C=O)cc1C
InChIInChI=1S/C9H10N2O/c1-7-5-8(6-12)3-4-9(7)11-10-2/h3-6,11H,2H2,1H3
InChIKeyZKXFDYBWBRKPBM-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.84
Rot. Bonds3

About 3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde

3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde (PubChem CID 143117219) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde.

Molecular Properties

Compound Name3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde
PubChem CID143117219
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde
SMILESC=NNc1ccc(C=O)cc1C
InChIInChI=1S/C9H10N2O/c1-7-5-8(6-12)3-4-9(7)11-10-2/h3-6,11H,2H2,1H3
InChIKeyZKXFDYBWBRKPBM-UHFFFAOYSA-N
XLogP1.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.84
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-formyl-2-methylphenyl)formamide
CID 144615218
4-(2-formylanilino)-3-methylbenzaldehyde
CID 89300511
N-(4-formyl-2-methylphenyl)-3-methylbutanamide
CID 143315991
CID 142080212
CID 142080212
4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde
CID 161093718
4-ethynyl-3-methylbenzaldehyde
CID 20668704
3-methyl-4-(4-methylphenyl)benzaldehyde
CID 81447593
3-methyl-4-(3-oxoprop-1-enyl)benzaldehyde
CID 169459013
3-methyl-4-prop-1-en-2-ylbenzaldehyde
CID 165138521
N-(4-formyl-2-methylphenyl)dodecanamide
CID 54174472
4-amino-3-methylbenzaldehyde;butane;ethane
CID 143664770
4-(bromomethyl)-3-methylbenzaldehyde
CID 134217544

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde?
The IUPAC name of 3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde (CID 143117219) is 3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde.
What is the SMILES notation for 3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde?
The canonical SMILES for 3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde is C=NNc1ccc(C=O)cc1C.
What is the InChIKey of 3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde?
The InChIKey is ZKXFDYBWBRKPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-5-8(6-12)3-4-9(7)11-10-2/h3-6,11H,2H2,1H3.
What are the key properties of 3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde?
3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde has a molecular weight of 162.19 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde is sourced from PubChem (CID 143117219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).