propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione

C9H13NO5 — CID 175577873

IUPACpropanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione
SMILESC=CCN1C(=O)COC1=O.CCC(=O)O
InChIInChI=1S/C6H7NO3.C3H6O2/c1-2-3-7-5(8)4-10-6(7)9;1-2-3(4)5/h2H,1,3-4H2;2H2,1H3,(H,4,5)
InChIKeyGIUMLVNFANPHIU-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.63
Rot. Bonds3

About propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione

propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione (PubChem CID 175577873) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Namepropanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione
PubChem CID175577873
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namepropanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione
SMILESC=CCN1C(=O)COC1=O.CCC(=O)O
InChIInChI=1S/C6H7NO3.C3H6O2/c1-2-3-7-5(8)4-10-6(7)9;1-2-3(4)5/h2H,1,3-4H2;2H2,1H3,(H,4,5)
InChIKeyGIUMLVNFANPHIU-UHFFFAOYSA-N
XLogP0.63
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-3-(2-propen-1-yl)-2,4-oxazolidinedione
CID 10683
(2-Methoxyacetyl)-prop-2-enylcarbamic acid
CID 87887700
(S)-allomethadione
CID 76956768
2,4-Oxazolidinedione, 3-allyl-5-methyl-, (R)-
CID 76956769
2-[(2-Methoxyacetyl)-prop-2-enylamino]acetic acid
CID 79257062
3-[(2-Methoxyacetyl)-prop-2-enylamino]propanoic acid
CID 82325658

Frequently Asked Questions

What is the IUPAC name of propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione (CID 175577873) is propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione is C=CCN1C(=O)COC1=O.CCC(=O)O.
What is the InChIKey of propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione?
The InChIKey is GIUMLVNFANPHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3.C3H6O2/c1-2-3-7-5(8)4-10-6(7)9;1-2-3(4)5/h2H,1,3-4H2;2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione?
propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione has a molecular weight of 215.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 175577873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).