(5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

C15H16N2O4 — CID 7272193

IUPAC(5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)[C@H](Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C15H16N2O4/c1-3-8-17-14(19)12(13(18)16-15(17)20)9-10-4-6-11(21-2)7-5-10/h3-7,12H,1,8-9H2,2H3,(H,16,18,20)/t12-/m0/s1
InChIKeyWGDKKWSCKHRQEO-LBPRGKRZSA-N
MW288.30 g/mol
LogP1.12
Rot. Bonds5

About (5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

(5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 7272193) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID7272193
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)[C@H](Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C15H16N2O4/c1-3-8-17-14(19)12(13(18)16-15(17)20)9-10-4-6-11(21-2)7-5-10/h3-7,12H,1,8-9H2,2H3,(H,16,18,20)/t12-/m0/s1
InChIKeyWGDKKWSCKHRQEO-LBPRGKRZSA-N
XLogP1.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 67961738
1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 78805030
5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione
CID 91699920
(5S)-5-[(4-ethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
CID 1256748
5-[(4-butoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 3125290
5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 170447672
3,6-bis[(4-prop-2-enoxyphenyl)methyl]piperazine-2,5-dione
CID 168859066
(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40512977
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982
5-[[4-[(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]phenyl]methyl]-1,3-diazinane-2,4,6-trione
CID 101232525
6-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]piperazine-2,5-dione
CID 163095304
[(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate
CID 134863514

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 7272193) is (5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)NC(=O)[C@H](Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of (5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is WGDKKWSCKHRQEO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-8-17-14(19)12(13(18)16-15(17)20)9-10-4-6-11(21-2)7-5-10/h3-7,12H,1,8-9H2,2H3,(H,16,18,20)/t12-/m0/s1.
What are the key properties of (5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
(5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 288.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7272193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).