4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one

C13H20N2O — CID 156837078

IUPAC4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one
SMILESCNNc1ccc(CCC(=O)C(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-10(2)13(16)9-6-11-4-7-12(8-5-11)15-14-3/h4-5,7-8,10,14-15H,6,9H2,1-3H3
InChIKeyCEIUZVPRUKNSBA-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.39
Rot. Bonds6

About 4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one

4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one (PubChem CID 156837078) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one
PubChem CID156837078
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one
SMILESCNNc1ccc(CCC(=O)C(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-10(2)13(16)9-6-11-4-7-12(8-5-11)15-14-3/h4-5,7-8,10,14-15H,6,9H2,1-3H3
InChIKeyCEIUZVPRUKNSBA-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[4-(2-methylpropanoyl)phenyl]pentan-3-one
CID 90089591
4-(4-methyl-3-oxopentyl)benzoic acid
CID 157191269
1,5-bis[4-(methylamino)phenyl]pentan-3-one
CID 175944254
1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one
CID 114520119
4-methyl-1-[4-(3-propoxypropyl)phenyl]pentan-3-one
CID 155189144
1-(3-bromophenyl)-4-methylpentan-3-one
CID 43175847
1-(3,4-dimethoxyphenyl)-4-methylpentan-3-one
CID 64503586
N-methyl-4-(4-methyl-3-methylidenepentyl)aniline
CID 138738524
4-bromo-1-phenylpentan-3-one
CID 121216753
4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one
CID 66769730
3-[4-[2-(methylamino)propanoylamino]phenyl]propanoic acid
CID 115339976
2-methyl-7-phenylheptan-3-one
CID 13129845

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one?
The IUPAC name of 4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one (CID 156837078) is 4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one.
What is the SMILES notation for 4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one?
The canonical SMILES for 4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one is CNNc1ccc(CCC(=O)C(C)C)cc1.
What is the InChIKey of 4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one?
The InChIKey is CEIUZVPRUKNSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)13(16)9-6-11-4-7-12(8-5-11)15-14-3/h4-5,7-8,10,14-15H,6,9H2,1-3H3.
What are the key properties of 4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one?
4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one has a molecular weight of 220.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one is sourced from PubChem (CID 156837078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).