2-methyl-3-(methyliminomethyl)benzaldehyde

C10H11NO — CID 169204727

IUPAC2-methyl-3-(methyliminomethyl)benzaldehyde
SMILESC/N=C/c1cccc(C=O)c1C
InChIInChI=1S/C10H11NO/c1-8-9(6-11-2)4-3-5-10(8)7-12/h3-7H,1-2H3/b11-6+
InChIKeyYDWUDBUCPNSFSV-IZZDOVSWSA-N
MW161.20 g/mol
LogP1.86
Rot. Bonds2

About 2-methyl-3-(methyliminomethyl)benzaldehyde

2-methyl-3-(methyliminomethyl)benzaldehyde (PubChem CID 169204727) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-methyl-3-(methyliminomethyl)benzaldehyde.

Molecular Properties

Compound Name2-methyl-3-(methyliminomethyl)benzaldehyde
PubChem CID169204727
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-methyl-3-(methyliminomethyl)benzaldehyde
SMILESC/N=C/c1cccc(C=O)c1C
InChIInChI=1S/C10H11NO/c1-8-9(6-11-2)4-3-5-10(8)7-12/h3-7H,1-2H3/b11-6+
InChIKeyYDWUDBUCPNSFSV-IZZDOVSWSA-N
XLogP1.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methyliminomethyl)benzaldehyde?
The IUPAC name of 2-methyl-3-(methyliminomethyl)benzaldehyde (CID 169204727) is 2-methyl-3-(methyliminomethyl)benzaldehyde.
What is the SMILES notation for 2-methyl-3-(methyliminomethyl)benzaldehyde?
The canonical SMILES for 2-methyl-3-(methyliminomethyl)benzaldehyde is C/N=C/c1cccc(C=O)c1C.
What is the InChIKey of 2-methyl-3-(methyliminomethyl)benzaldehyde?
The InChIKey is YDWUDBUCPNSFSV-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-9(6-11-2)4-3-5-10(8)7-12/h3-7H,1-2H3/b11-6+.
What are the key properties of 2-methyl-3-(methyliminomethyl)benzaldehyde?
2-methyl-3-(methyliminomethyl)benzaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methyliminomethyl)benzaldehyde is sourced from PubChem (CID 169204727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).