1-methylimino-1-(2-methylphenyl)propan-2-one

C11H13NO — CID 142187887

IUPAC1-methylimino-1-(2-methylphenyl)propan-2-one
SMILESC/N=C(\C(C)=O)c1ccccc1C
InChIInChI=1S/C11H13NO/c1-8-6-4-5-7-10(8)11(12-3)9(2)13/h4-7H,1-3H3/b12-11+
InChIKeyRUXXURPTHOPZFV-VAWYXSNFSA-N
MW175.23 g/mol
LogP2.00
Rot. Bonds2

About 1-methylimino-1-(2-methylphenyl)propan-2-one

1-methylimino-1-(2-methylphenyl)propan-2-one (PubChem CID 142187887) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-methylimino-1-(2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-methylimino-1-(2-methylphenyl)propan-2-one
PubChem CID142187887
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-methylimino-1-(2-methylphenyl)propan-2-one
SMILESC/N=C(\C(C)=O)c1ccccc1C
InChIInChI=1S/C11H13NO/c1-8-6-4-5-7-10(8)11(12-3)9(2)13/h4-7H,1-3H3/b12-11+
InChIKeyRUXXURPTHOPZFV-VAWYXSNFSA-N
XLogP2.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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1-Diazo-1-(2-fluorophenyl)propan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-methylimino-1-(2-methylphenyl)propan-2-one?
The IUPAC name of 1-methylimino-1-(2-methylphenyl)propan-2-one (CID 142187887) is 1-methylimino-1-(2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-methylimino-1-(2-methylphenyl)propan-2-one?
The canonical SMILES for 1-methylimino-1-(2-methylphenyl)propan-2-one is C/N=C(\C(C)=O)c1ccccc1C.
What is the InChIKey of 1-methylimino-1-(2-methylphenyl)propan-2-one?
The InChIKey is RUXXURPTHOPZFV-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-6-4-5-7-10(8)11(12-3)9(2)13/h4-7H,1-3H3/b12-11+.
What are the key properties of 1-methylimino-1-(2-methylphenyl)propan-2-one?
1-methylimino-1-(2-methylphenyl)propan-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimino-1-(2-methylphenyl)propan-2-one is sourced from PubChem (CID 142187887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).