1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione

C15H16N2O3 — CID 91962836

IUPAC1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione
SMILESCC(C=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-10(11-7-5-4-6-8-11)9-12-13(18)16(2)15(20)17(3)14(12)19/h4-10H,1-3H3
InChIKeyFMSPLRGCLLGPIP-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.77
Rot. Bonds2

About 1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 91962836) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione
PubChem CID91962836
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione
SMILESCC(C=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-10(11-7-5-4-6-8-11)9-12-13(18)16(2)15(20)17(3)14(12)19/h4-10H,1-3H3
InChIKeyFMSPLRGCLLGPIP-UHFFFAOYSA-N
XLogP1.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
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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Related Compounds

1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione
CID 16748543
5-(2-phenylpropylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2803078
2-phenylpropaneselenal
CID 141365712
3,4-dibenzylidene-1-methylpyrrolidine-2,5-dione
CID 54410030
5-benzylidene-1,3-dimethylimidazolidine-2,4-dione
CID 71360236
3-[4-oxo-5-(2-phenylpropylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 56985050
5-ethylidene-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 20693559
copper;cumene;manganese
CID 175691003
(2R)-2-[3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]indol-1-yl]propanoic acid
CID 7341644
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione (CID 91962836) is 1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione is CC(C=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is FMSPLRGCLLGPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(11-7-5-4-6-8-11)9-12-13(18)16(2)15(20)17(3)14(12)19/h4-10H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 272.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-phenylpropylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 91962836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).