4-(2-methylphenyl)iminopentan-2-one

C12H15NO — CID 14508611

IUPAC4-(2-methylphenyl)iminopentan-2-one
SMILESCC(=O)C/C(C)=N/c1ccccc1C
InChIInChI=1S/C12H15NO/c1-9-6-4-5-7-12(9)13-10(2)8-11(3)14/h4-7H,8H2,1-3H3/b13-10+
InChIKeyXJGYTOCNBZPVLX-JLHYYAGUSA-N
MW189.26 g/mol
LogP3.07
Rot. Bonds3

About 4-(2-methylphenyl)iminopentan-2-one

4-(2-methylphenyl)iminopentan-2-one (PubChem CID 14508611) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(2-methylphenyl)iminopentan-2-one.

Molecular Properties

Compound Name4-(2-methylphenyl)iminopentan-2-one
PubChem CID14508611
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(2-methylphenyl)iminopentan-2-one
SMILESCC(=O)C/C(C)=N/c1ccccc1C
InChIInChI=1S/C12H15NO/c1-9-6-4-5-7-12(9)13-10(2)8-11(3)14/h4-7H,8H2,1-3H3/b13-10+
InChIKeyXJGYTOCNBZPVLX-JLHYYAGUSA-N
XLogP3.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Tolyl isocyanate
CID 69194
2-Ethylphenyl isocyanate
CID 583486
2h-Dibenzo[b,f]azepin-2-one
CID 276457
4-Phenylimino-2-pentanone
CID 778754
1-Isocyanato-2-propylbenzene
CID 2733390
4-[4-(Trifluoromethyl)phenyl]iminopentan-2-one
CID 2741227
Quindolinone
CID 129686415
10,11-Dihydro-2h-dibenzo[b,f]azepin-2-one
CID 276456
2,6-Bis(1,1-dimethylethyl)cyclohexa-2,5-diene-1,4-dione, 4-p-tolylimine
CID 628142
N-(1-Methyl-3-oxobutylidene)-4-methylaniline
CID 600059
2,6-Ditert-butyl-4-(phenylimino)-2,5-cyclohexadien-1-one
CID 626456
Cyclohexanone, 3-(2-fluorophenylimino)-5,5-dimethyl-
CID 601012

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)iminopentan-2-one?
The IUPAC name of 4-(2-methylphenyl)iminopentan-2-one (CID 14508611) is 4-(2-methylphenyl)iminopentan-2-one.
What is the SMILES notation for 4-(2-methylphenyl)iminopentan-2-one?
The canonical SMILES for 4-(2-methylphenyl)iminopentan-2-one is CC(=O)C/C(C)=N/c1ccccc1C.
What is the InChIKey of 4-(2-methylphenyl)iminopentan-2-one?
The InChIKey is XJGYTOCNBZPVLX-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-6-4-5-7-12(9)13-10(2)8-11(3)14/h4-7H,8H2,1-3H3/b13-10+.
What are the key properties of 4-(2-methylphenyl)iminopentan-2-one?
4-(2-methylphenyl)iminopentan-2-one has a molecular weight of 189.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)iminopentan-2-one is sourced from PubChem (CID 14508611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).