1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one

C19H23FN2O — CID 142023760

IUPAC1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
SMILESCC(=O)/C(=N\N)c1cc(F)ccc1C.CCc1cccc(C)c1
InChIInChI=1S/C10H11FN2O.C9H12/c1-6-3-4-8(11)5-9(6)10(13-12)7(2)14;1-3-9-6-4-5-8(2)7-9/h3-5H,12H2,1-2H3;4-7H,3H2,1-2H3/b13-10+;
InChIKeyOXRMTTGBPGDQRT-RSGUCCNWSA-N
MW314.40 g/mol
LogP3.94
Rot. Bonds3

About 1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one

1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one (PubChem CID 142023760) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one.

Molecular Properties

Compound Name1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
PubChem CID142023760
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
SMILESCC(=O)/C(=N\N)c1cc(F)ccc1C.CCc1cccc(C)c1
InChIInChI=1S/C10H11FN2O.C9H12/c1-6-3-4-8(11)5-9(6)10(13-12)7(2)14;1-3-9-6-4-5-8(2)7-9/h3-5H,12H2,1-2H3;4-7H,3H2,1-2H3/b13-10+;
InChIKeyOXRMTTGBPGDQRT-RSGUCCNWSA-N
XLogP3.94
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methylbenzene;methanamine
CID 167447790
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one
CID 116552398
ethane;1-ethyl-3-methylbenzene;formaldehyde
CID 172563625
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62388067
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
butane-2,3-dione;ethylbenzene
CID 174875574
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
ethane;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene
CID 164905149
1-ethyl-3-methylbenzene;isocyanic acid
CID 88779668

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one?
The IUPAC name of 1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one (CID 142023760) is 1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one.
What is the SMILES notation for 1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one?
The canonical SMILES for 1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one is CC(=O)/C(=N\N)c1cc(F)ccc1C.CCc1cccc(C)c1.
What is the InChIKey of 1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one?
The InChIKey is OXRMTTGBPGDQRT-RSGUCCNWSA-N. The full InChI is InChI=1S/C10H11FN2O.C9H12/c1-6-3-4-8(11)5-9(6)10(13-12)7(2)14;1-3-9-6-4-5-8(2)7-9/h3-5H,12H2,1-2H3;4-7H,3H2,1-2H3/b13-10+;.
What are the key properties of 1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one?
1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one has a molecular weight of 314.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one is sourced from PubChem (CID 142023760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).