2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one

C12H15FN2O — CID 143974369

IUPAC2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one
SMILESC/C=C\C(Cn1ncccc1=O)=C(\F)CC
InChIInChI=1S/C12H15FN2O/c1-3-6-10(11(13)4-2)9-15-12(16)7-5-8-14-15/h3,5-8H,4,9H2,1-2H3/b6-3-,11-10-
InChIKeyQEQUDHGOQMMUFI-XXNLUHFVSA-N
MW222.26 g/mol
LogP2.45
Rot. Bonds4

About 2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one

2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one (PubChem CID 143974369) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one
PubChem CID143974369
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one
SMILESC/C=C\C(Cn1ncccc1=O)=C(\F)CC
InChIInChI=1S/C12H15FN2O/c1-3-6-10(11(13)4-2)9-15-12(16)7-5-8-14-15/h3,5-8H,4,9H2,1-2H3/b6-3-,11-10-
InChIKeyQEQUDHGOQMMUFI-XXNLUHFVSA-N
XLogP2.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-Difluoroethyl)-4-propan-2-ylpyridazin-3-one
CID 178099321
4-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 178099390
4-Propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 178099526
2-(2-Fluorobutyl)pyridazin-3-one
CID 130621297
4-Methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one
CID 162611344
2-(2-Methylprop-2-enyl)pyridazin-3-one
CID 89140353
2,4-Diethylpyridazin-3-one
CID 89749475
4-Ethyl-2-propan-2-ylpyridazin-3-one
CID 89887657
4,5-Dimethylpyrido[1,2-b]pyridazin-8-one
CID 117803805
2-Ethyl-4-propan-2-ylpyridazin-3-one
CID 117860200
(E)-3-(2-methyl-3-oxopyridazin-4-yl)prop-2-enal
CID 144132328
ethane;2-[(2E)-2-ethenylpenta-2,4-dienyl]-5-methylpyridazin-3-one
CID 145299053

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one?
The IUPAC name of 2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one (CID 143974369) is 2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one.
What is the SMILES notation for 2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one?
The canonical SMILES for 2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one is C/C=C\C(Cn1ncccc1=O)=C(\F)CC.
What is the InChIKey of 2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one?
The InChIKey is QEQUDHGOQMMUFI-XXNLUHFVSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-3-6-10(11(13)4-2)9-15-12(16)7-5-8-14-15/h3,5-8H,4,9H2,1-2H3/b6-3-,11-10-.
What are the key properties of 2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one?
2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one has a molecular weight of 222.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one is sourced from PubChem (CID 143974369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).