5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one

C16H18FN3O2 — CID 174083544

IUPAC5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one
SMILESCNN=C1C(=O)C(CCCc2ccccc2F)N=C1C(C)=O
InChIInChI=1S/C16H18FN3O2/c1-10(21)14-15(20-18-2)16(22)13(19-14)9-5-7-11-6-3-4-8-12(11)17/h3-4,6,8,13,18H,5,7,9H2,1-2H3
InChIKeyMAIZKFUIDBVWDN-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.71
Rot. Bonds6

About 5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one

5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one (PubChem CID 174083544) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one.

Molecular Properties

Compound Name5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one
PubChem CID174083544
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one
SMILESCNN=C1C(=O)C(CCCc2ccccc2F)N=C1C(C)=O
InChIInChI=1S/C16H18FN3O2/c1-10(21)14-15(20-18-2)16(22)13(19-14)9-5-7-11-6-3-4-8-12(11)17/h3-4,6,8,13,18H,5,7,9H2,1-2H3
InChIKeyMAIZKFUIDBVWDN-UHFFFAOYSA-N
XLogP1.71
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,5-difluoro-4-methylphenyl)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4,5-dihydro-1H-pyrazol-5-yl]nonan-4-one
CID 176969069
1-[3-[(E)-but-2-en-2-yl]-4,5-dihydro-1H-pyrazol-5-yl]-6-[3-fluoro-4-(trifluoromethyl)phenyl]nonan-4-one;ethane
CID 176969075
1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4,5-dihydro-1H-pyrazol-5-yl]-6-(3,4,5-trifluorophenyl)nonan-4-one
CID 176969112
6-(3,4-difluorophenyl)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4,5-dihydro-1H-pyrazol-5-yl]nonan-4-one
CID 176969186
6-(4-fluorophenyl)-1-[3-[(2Z,4E)-octa-2,4,6-trien-4-yl]-4,5-dihydro-1H-pyrazol-5-yl]nonan-4-one
CID 176969311
1-[3-[(E)-but-2-en-2-yl]-4,5-dihydro-1H-pyrazol-5-yl]-6-[3-fluoro-4-(trifluoromethyl)phenyl]nonan-4-one
CID 176969076
6-(3-fluoro-5-methylphenyl)-1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,5-dihydro-1H-pyrazol-5-yl]nonan-4-one
CID 176969103
acetylene;6-(3-fluoro-5-methylphenyl)-1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,5-dihydro-1H-pyrazol-5-yl]nonan-4-one
CID 176969102
5-(2,4-difluorophenyl)octan-3-one;3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methyl-4,5-dihydro-1H-pyrazole
CID 176969131
5-(2,4-difluorophenyl)octan-3-one;5-methyl-3-[(2Z,4E)-octa-2,4,6-trien-4-yl]-4,5-dihydro-1H-pyrazole
CID 176969229
5-(3,4-difluorophenyl)octan-3-one;3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methyl-4,5-dihydro-1H-pyrazole
CID 176969277
5-(2-fluorophenyl)octan-3-one;3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methyl-4,5-dihydro-1H-pyrazole
CID 176969283

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one?
The IUPAC name of 5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one (CID 174083544) is 5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one.
What is the SMILES notation for 5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one?
The canonical SMILES for 5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one is CNN=C1C(=O)C(CCCc2ccccc2F)N=C1C(C)=O.
What is the InChIKey of 5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one?
The InChIKey is MAIZKFUIDBVWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10(21)14-15(20-18-2)16(22)13(19-14)9-5-7-11-6-3-4-8-12(11)17/h3-4,6,8,13,18H,5,7,9H2,1-2H3.
What are the key properties of 5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one?
5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one has a molecular weight of 303.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[3-(2-fluorophenyl)propyl]-4-(methylhydrazinylidene)-2H-pyrrol-3-one is sourced from PubChem (CID 174083544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).