(5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione

C15H19FN2O3 — CID 140667969

IUPAC(5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)NC(=O)/C(=C\C=C\C2CCCCC2F)C1=O
InChIInChI=1S/C15H19FN2O3/c1-2-18-14(20)11(13(19)17-15(18)21)8-5-7-10-6-3-4-9-12(10)16/h5,7-8,10,12H,2-4,6,9H2,1H3,(H,17,19,21)/b7-5+,11-8+
InChIKeyNHYRFLDIOZTXAC-PAQHSLSSSA-N
MW294.33 g/mol
LogP2.10
Rot. Bonds3

About (5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione

(5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 140667969) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
PubChem CID140667969
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)NC(=O)/C(=C\C=C\C2CCCCC2F)C1=O
InChIInChI=1S/C15H19FN2O3/c1-2-18-14(20)11(13(19)17-15(18)21)8-5-7-10-6-3-4-9-12(10)16/h5,7-8,10,12H,2-4,6,9H2,1H3,(H,17,19,21)/b7-5+,11-8+
InChIKeyNHYRFLDIOZTXAC-PAQHSLSSSA-N
XLogP2.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione (CID 140667969) is (5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione is CCN1C(=O)NC(=O)/C(=C\C=C\C2CCCCC2F)C1=O.
What is the InChIKey of (5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is NHYRFLDIOZTXAC-PAQHSLSSSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-18-14(20)11(13(19)17-15(18)21)8-5-7-10-6-3-4-9-12(10)16/h5,7-8,10,12H,2-4,6,9H2,1H3,(H,17,19,21)/b7-5+,11-8+.
What are the key properties of (5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
(5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 294.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-ethyl-5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 140667969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).