5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

C19H16N2O3 — CID 3026925

IUPAC5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(c2ccc(-c3ccccc3)cc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C19H16N2O3/c1-2-12-19(16(22)20-18(24)21-17(19)23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-11H,1,12H2,(H2,20,21,22,23,24)
InChIKeyKDBHSHLPVVXOAN-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.53
Rot. Bonds4

About 5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 3026925) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID3026925
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(c2ccc(-c3ccccc3)cc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C19H16N2O3/c1-2-12-19(16(22)20-18(24)21-17(19)23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-11H,1,12H2,(H2,20,21,22,23,24)
InChIKeyKDBHSHLPVVXOAN-UHFFFAOYSA-N
XLogP2.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 3026925) is 5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1(c2ccc(-c3ccccc3)cc2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is KDBHSHLPVVXOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-2-12-19(16(22)20-18(24)21-17(19)23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-11H,1,12H2,(H2,20,21,22,23,24).
What are the key properties of 5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 320.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3026925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).