4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one

C15H16FN3O — CID 87107419

IUPAC4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one
SMILESC/C(CCc1cccc(F)c1)=N\Nc1cc[nH]c(=O)c1
InChIInChI=1S/C15H16FN3O/c1-11(5-6-12-3-2-4-13(16)9-12)18-19-14-7-8-17-15(20)10-14/h2-4,7-10H,5-6H2,1H3,(H2,17,19,20)/b18-11+
InChIKeyRPAWBFGNACVCDM-WOJGMQOQSA-N
MW273.31 g/mol
LogP2.93
Rot. Bonds5

About 4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one

4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one (PubChem CID 87107419) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one
PubChem CID87107419
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one
SMILESC/C(CCc1cccc(F)c1)=N\Nc1cc[nH]c(=O)c1
InChIInChI=1S/C15H16FN3O/c1-11(5-6-12-3-2-4-13(16)9-12)18-19-14-7-8-17-15(20)10-14/h2-4,7-10H,5-6H2,1H3,(H2,17,19,20)/b18-11+
InChIKeyRPAWBFGNACVCDM-WOJGMQOQSA-N
XLogP2.93
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one (CID 87107419) is 4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one is C/C(CCc1cccc(F)c1)=N\Nc1cc[nH]c(=O)c1.
What is the InChIKey of 4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one?
The InChIKey is RPAWBFGNACVCDM-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-11(5-6-12-3-2-4-13(16)9-12)18-19-14-7-8-17-15(20)10-14/h2-4,7-10H,5-6H2,1H3,(H2,17,19,20)/b18-11+.
What are the key properties of 4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one?
4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one has a molecular weight of 273.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one is sourced from PubChem (CID 87107419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).