1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione

C9H11FN2O2 — CID 144982590

IUPAC1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C(=C(\C)F)N1CCC(=O)NC1=O
InChIInChI=1S/C9H11FN2O2/c1-3-7(6(2)10)12-5-4-8(13)11-9(12)14/h3H,1,4-5H2,2H3,(H,11,13,14)/b7-6-
InChIKeyQLIJWTGTTGFTPQ-SREVYHEPSA-N
MW198.20 g/mol
LogP1.32
Rot. Bonds2

About 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione

1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 144982590) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
PubChem CID144982590
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C(=C(\C)F)N1CCC(=O)NC1=O
InChIInChI=1S/C9H11FN2O2/c1-3-7(6(2)10)12-5-4-8(13)11-9(12)14/h3H,1,4-5H2,2H3,(H,11,13,14)/b7-6-
InChIKeyQLIJWTGTTGFTPQ-SREVYHEPSA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

5-Fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione
CID 78171015
1-[(E)-but-2-enyl]-5-fluoro-1,3-diazinane-2,4,6-trione
CID 133671914
Ruthenium(1+);1-(3-sulfanylbenzene-6-id-1-yl)-1,3-diazinane-2,4-dione
CID 156706986
1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione
CID 156707021
1-[(2E)-penta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione
CID 167250267
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
CID 167250435
butane;1-[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]-1,3-diazinane-2,4-dione
CID 168945503
ethane;2-methylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-diazinan-4-one
CID 171083949
ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
CID 171565090
ethane;1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
CID 171565174
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
CID 171565222
ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione
CID 171565229

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione (CID 144982590) is 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione is C=C/C(=C(\C)F)N1CCC(=O)NC1=O.
What is the InChIKey of 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is QLIJWTGTTGFTPQ-SREVYHEPSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-3-7(6(2)10)12-5-4-8(13)11-9(12)14/h3H,1,4-5H2,2H3,(H,11,13,14)/b7-6-.
What are the key properties of 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione?
1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 198.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 144982590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).