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

C10H14N2O4 — CID 17336

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IUPAC5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC(C)O)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)
InChIKeyVNLMRPAWAMPLNZ-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.31
Rot. Bonds4

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

5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 17336) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID17336
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC(C)O)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)
InChIKeyVNLMRPAWAMPLNZ-UHFFFAOYSA-N
XLogP-0.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
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

Barbituric acid, 5-allyl-5-(2-hydroxyallyl)-
CID 57582
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-(2-propenyl)-
CID 213231
Barbituric acid, 5-allyl-5-(2-hydroxy-3-iodopropyl)-
CID 18624
Barbituric acid, 5-allyl-5-(2-methoxypropyl)-
CID 24189
Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-1-methyl-, (2R*,3S*)-
CID 210683
Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-1-methyl-, (2R*,3R*)-
CID 210727
Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio-
CID 3032919
1,3-Dimethyl-5-allyl-5-(beta-hydroxypropyl)barbituric acid
CID 3026928
1-Methyl-5-allyl-5-(beta-hydroxypropyl)barbituric acid
CID 3026929
5-Ethyl-5-(2-hydroxypropyl)pyrimidine-2,4,6(1h,3h,5h)-trione
CID 257329
3'-Hydroxysecobarbital
CID 91747880
3'-Hydroxyquinalbarbitone
CID 534528

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 17336) is 5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1(CC(C)O)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VNLMRPAWAMPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16).
What are the key properties of 5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 226.23 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 17336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).