Skip to content

Proxibarbal

C10H14N2O4 — CID 17336

💊View drug profile → proxibarbal

Data last refreshed: (MolForge compound catalog, from PubChem)

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 Proxibarbal

Proxibarbal (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 NameProxibarbal
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'}

Analyze Proxibarbal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 24189
5,5-bis(prop-2-enyl)-(2,4,5,6-13C4)1,3-diazinane-2,4,6-trione
CID 76974294
5-(2-hydroxypropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 528894
5-(2-methylpropyl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3032321
5-[(2R)-butan-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 76959567
5-(2-hydroxypropyl)-5-(3-methylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 10635924
5-[(E)-but-2-en-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 5352735
sodium 5-but-3-enyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 54606407
2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid
CID 10728842
5-ethenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 23422611
4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione
CID 67259370
5-(hydroxymethyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 14242291

Frequently Asked Questions

What is the IUPAC name of Proxibarbal?
The IUPAC name of Proxibarbal (CID 17336) is 5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for Proxibarbal?
The canonical SMILES for Proxibarbal is C=CCC1(CC(C)O)C(=O)NC(=O)NC1=O.
What is the InChIKey of Proxibarbal?
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 Proxibarbal?
Proxibarbal 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 Proxibarbal is sourced from PubChem (CID 17336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: P · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.