1-(2,6-dimethylphenyl)-2-iminoethanone

C10H11NO — CID 123933516

IUPAC1-(2,6-dimethylphenyl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1c(C)cccc1C
InChIInChI=1S/C10H11NO/c1-7-4-3-5-8(2)10(7)9(12)6-11/h3-6,11H,1-2H3/b11-6+
InChIKeySWEAOILKFUANOB-IZZDOVSWSA-N
MW161.20 g/mol
LogP2.14
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-2-iminoethanone

1-(2,6-dimethylphenyl)-2-iminoethanone (PubChem CID 123933516) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2-iminoethanone.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2-iminoethanone
PubChem CID123933516
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-(2,6-dimethylphenyl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1c(C)cccc1C
InChIInChI=1S/C10H11NO/c1-7-4-3-5-8(2)10(7)9(12)6-11/h3-6,11H,1-2H3/b11-6+
InChIKeySWEAOILKFUANOB-IZZDOVSWSA-N
XLogP2.14
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2-iminoethanone?
The IUPAC name of 1-(2,6-dimethylphenyl)-2-iminoethanone (CID 123933516) is 1-(2,6-dimethylphenyl)-2-iminoethanone.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2-iminoethanone?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2-iminoethanone is [H]/N=C/C(=O)c1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2-iminoethanone?
The InChIKey is SWEAOILKFUANOB-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-4-3-5-8(2)10(7)9(12)6-11/h3-6,11H,1-2H3/b11-6+.
What are the key properties of 1-(2,6-dimethylphenyl)-2-iminoethanone?
1-(2,6-dimethylphenyl)-2-iminoethanone has a molecular weight of 161.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2-iminoethanone is sourced from PubChem (CID 123933516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).