5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione

C10H15NO3 — CID 91418887

IUPAC5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione
SMILESC=CCC1C(=O)OC(N)(C(C)C)C1=O
InChIInChI=1S/C10H15NO3/c1-4-5-7-8(12)10(11,6(2)3)14-9(7)13/h4,6-7H,1,5,11H2,2-3H3
InChIKeyHODDWFNOGPIFOO-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.62
Rot. Bonds3

About 5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione

5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione (PubChem CID 91418887) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione.

Molecular Properties

Compound Name5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione
PubChem CID91418887
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione
SMILESC=CCC1C(=O)OC(N)(C(C)C)C1=O
InChIInChI=1S/C10H15NO3/c1-4-5-7-8(12)10(11,6(2)3)14-9(7)13/h4,6-7H,1,5,11H2,2-3H3
InChIKeyHODDWFNOGPIFOO-UHFFFAOYSA-N
XLogP0.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.62
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

(3S,5R)-5-ethyl-3-prop-2-enyloxolane-2,4-dione
CID 10329699
4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 14023307
(3aS,6R,7aS)-7a-hydroxy-3a-methyl-6-propan-2-yl-3-prop-2-enyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 11779991
Sodium 5-(2-propen-1-yl)-barbiturate
CID 53471053
2-prop-2-enylcyclopent-4-ene-1,3-dione
CID 12877518
(5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one
CID 142893830
(3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one
CID 102329754
4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine
CID 166844124
(3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one
CID 13132525
2,2-dimethyl-5-(2-methylpent-4-enoyl)-1,3-dioxane-4,6-dione
CID 123971368
2,2,3-trimethyl-3-propan-2-yl-4-prop-2-enyloxetane
CID 91533356
3-methyl-3-propan-2-ylbicyclo[2.2.1]heptan-2-one
CID 164833317

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione?
The IUPAC name of 5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione (CID 91418887) is 5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione.
What is the SMILES notation for 5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione?
The canonical SMILES for 5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione is C=CCC1C(=O)OC(N)(C(C)C)C1=O.
What is the InChIKey of 5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione?
The InChIKey is HODDWFNOGPIFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-5-7-8(12)10(11,6(2)3)14-9(7)13/h4,6-7H,1,5,11H2,2-3H3.
What are the key properties of 5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione?
5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione has a molecular weight of 197.23 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione is sourced from PubChem (CID 91418887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).