5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C15H19N3O4 — CID 102531853

IUPAC5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C(O)=C/C=C/N2CCCC2)C(=O)N(C)C1=O
InChIInChI=1S/C15H19N3O4/c1-16-13(20)12(14(21)17(2)15(16)22)10-11(19)6-5-9-18-7-3-4-8-18/h5-6,9-10,19H,3-4,7-8H2,1-2H3/b9-5+,11-6-
InChIKeyQJUZLQXXNJBWRC-LDABVSGMSA-N
MW305.33 g/mol
LogP1.01
Rot. Bonds3

About 5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 102531853) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID102531853
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C(O)=C/C=C/N2CCCC2)C(=O)N(C)C1=O
InChIInChI=1S/C15H19N3O4/c1-16-13(20)12(14(21)17(2)15(16)22)10-11(19)6-5-9-18-7-3-4-8-18/h5-6,9-10,19H,3-4,7-8H2,1-2H3/b9-5+,11-6-
InChIKeyQJUZLQXXNJBWRC-LDABVSGMSA-N
XLogP1.01
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 102531853) is 5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=C/C(O)=C/C=C/N2CCCC2)C(=O)N(C)C1=O.
What is the InChIKey of 5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is QJUZLQXXNJBWRC-LDABVSGMSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-16-13(20)12(14(21)17(2)15(16)22)10-11(19)6-5-9-18-7-3-4-8-18/h5-6,9-10,19H,3-4,7-8H2,1-2H3/b9-5+,11-6-.
What are the key properties of 5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 305.33 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 102531853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).