2-methanimidoyl-4-methylbenzaldehyde

C9H9NO — CID 22447756

IUPAC2-methanimidoyl-4-methylbenzaldehyde
SMILES[H]/N=C/c1cc(C)ccc1C=O
InChIInChI=1S/C9H9NO/c1-7-2-3-8(6-11)9(4-7)5-10/h2-6,10H,1H3/b10-5+
InChIKeyOEBDOQAPXLOGDP-BJMVGYQFSA-N
MW147.18 g/mol
LogP1.81
Rot. Bonds2

About 2-methanimidoyl-4-methylbenzaldehyde

2-methanimidoyl-4-methylbenzaldehyde (PubChem CID 22447756) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-methanimidoyl-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-methanimidoyl-4-methylbenzaldehyde
PubChem CID22447756
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-methanimidoyl-4-methylbenzaldehyde
SMILES[H]/N=C/c1cc(C)ccc1C=O
InChIInChI=1S/C9H9NO/c1-7-2-3-8(6-11)9(4-7)5-10/h2-6,10H,1H3/b10-5+
InChIKeyOEBDOQAPXLOGDP-BJMVGYQFSA-N
XLogP1.81
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methanimidoyl-4-methylbenzaldehyde 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

N-(difluoromethyl)-2-methanimidoyl-4-methylaniline
CID 176988772
2-ethyl-4-methylbenzaldehyde
CID 58929233
N-(2-methanimidoyl-5-methylphenyl)ethanimine
CID 118350033
2,5-dimethylbenzaldehyde;ethane
CID 142106726
2-iodyl-4-methylbenzaldehyde
CID 172555476
CID 143927164
CID 143927164
3-(2-formyl-5-methylphenyl)prop-2-enoic acid
CID 169460428
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
(2-methoxy-3,5-dimethylphenyl)methanimine
CID 176965340
2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline
CID 155713746
ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline
CID 143562507
4-methyl-2-(4-sulfanylbut-1-enyl)benzaldehyde
CID 170478224

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-4-methylbenzaldehyde?
The IUPAC name of 2-methanimidoyl-4-methylbenzaldehyde (CID 22447756) is 2-methanimidoyl-4-methylbenzaldehyde.
What is the SMILES notation for 2-methanimidoyl-4-methylbenzaldehyde?
The canonical SMILES for 2-methanimidoyl-4-methylbenzaldehyde is [H]/N=C/c1cc(C)ccc1C=O.
What is the InChIKey of 2-methanimidoyl-4-methylbenzaldehyde?
The InChIKey is OEBDOQAPXLOGDP-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-2-3-8(6-11)9(4-7)5-10/h2-6,10H,1H3/b10-5+.
What are the key properties of 2-methanimidoyl-4-methylbenzaldehyde?
2-methanimidoyl-4-methylbenzaldehyde has a molecular weight of 147.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-4-methylbenzaldehyde is sourced from PubChem (CID 22447756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).