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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Related Compounds

2,6-dimethylbenzenecarbothioic S-acid
CID 91881639
2-methanimidoyl-6-methylbenzohydrazide
CID 23023809
(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 163243515
1-(3-hydroxyphenyl)-2-iminoethanone
CID 56609205
2,6-dimethylbenzoyl iodide
CID 87941795
2,6-dimethylbenzoyl fluoride
CID 23235034
2,6-dimethylbenzenecarboximidamide
CID 5047790
1-(4-benzoylphenyl)-2-iminoethanone
CID 57228817
carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
CID 159397931
1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone
CID 123386972
2-iodo-6-methylbenzenecarbothioic S-acid
CID 91881633
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491

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).