prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate

C14H23NO5 — CID 87501236

IUPACprop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate
SMILESC=CC(N)=O.C=CCOC(=O)CO.C=CCOCC=C
InChIInChI=1S/C6H10O.C5H8O3.C3H5NO/c1-3-5-7-6-4-2;1-2-3-8-5(7)4-6;1-2-3(4)5/h3-4H,1-2,5-6H2;2,6H,1,3-4H2;2H,1H2,(H2,4,5)
InChIKeyZXSVOJJWIGUIRT-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.74
Rot. Bonds8

About prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate

prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate (PubChem CID 87501236) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate.

Molecular Properties

Compound Nameprop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate
PubChem CID87501236
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Nameprop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate
SMILESC=CC(N)=O.C=CCOC(=O)CO.C=CCOCC=C
InChIInChI=1S/C6H10O.C5H8O3.C3H5NO/c1-3-5-7-6-4-2;1-2-3-8-5(7)4-6;1-2-3(4)5/h3-4H,1-2,5-6H2;2,6H,1,3-4H2;2H,1H2,(H2,4,5)
InChIKeyZXSVOJJWIGUIRT-UHFFFAOYSA-N
XLogP0.74
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-enamide;ruthenium
CID 90254548
azane;prop-2-enyl but-3-enoate
CID 88514758
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
prop-2-enyl 3-hydroxybutanoate
CID 14360290
prop-2-enyl 4-hydroxybutanoate
CID 11367059
prop-2-enamide iodide
CID 19796963
CID 118976628
CID 118976628
2-aminoethanol;prop-2-enamide
CID 160789080
prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
CID 88876740
prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate
CID 174869989
azane;prop-2-enyl propanoate
CID 87729437
4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629

Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate?
The IUPAC name of prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate (CID 87501236) is prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate.
What is the SMILES notation for prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate?
The canonical SMILES for prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate is C=CC(N)=O.C=CCOC(=O)CO.C=CCOCC=C.
What is the InChIKey of prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate?
The InChIKey is ZXSVOJJWIGUIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C5H8O3.C3H5NO/c1-3-5-7-6-4-2;1-2-3-8-5(7)4-6;1-2-3(4)5/h3-4H,1-2,5-6H2;2,6H,1,3-4H2;2H,1H2,(H2,4,5).
What are the key properties of prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate?
prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate has a molecular weight of 285.34 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate is sourced from PubChem (CID 87501236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).