(5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione

C15H15ClN2O2 — CID 71509780

IUPAC(5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione
SMILESCCN1C/C(=C/C=C/c2cccc(Cl)c2)C(=O)NC1=O
InChIInChI=1S/C15H15ClN2O2/c1-2-18-10-12(14(19)17-15(18)20)7-3-5-11-6-4-8-13(16)9-11/h3-9H,2,10H2,1H3,(H,17,19,20)/b5-3+,12-7-
InChIKeyTYHUJAXYOLKODD-FMVMLBDOSA-N
MW290.75 g/mol
LogP2.85
Rot. Bonds3

About (5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione

(5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione (PubChem CID 71509780) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione
PubChem CID71509780
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name(5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione
SMILESCCN1C/C(=C/C=C/c2cccc(Cl)c2)C(=O)NC1=O
InChIInChI=1S/C15H15ClN2O2/c1-2-18-10-12(14(19)17-15(18)20)7-3-5-11-6-4-8-13(16)9-11/h3-9H,2,10H2,1H3,(H,17,19,20)/b5-3+,12-7-
InChIKeyTYHUJAXYOLKODD-FMVMLBDOSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione?
The IUPAC name of (5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione (CID 71509780) is (5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione is CCN1C/C(=C/C=C/c2cccc(Cl)c2)C(=O)NC1=O.
What is the InChIKey of (5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione?
The InChIKey is TYHUJAXYOLKODD-FMVMLBDOSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-18-10-12(14(19)17-15(18)20)7-3-5-11-6-4-8-13(16)9-11/h3-9H,2,10H2,1H3,(H,17,19,20)/b5-3+,12-7-.
What are the key properties of (5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione?
(5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione has a molecular weight of 290.75 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-(3-chlorophenyl)prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 71509780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).