azane;3-prop-2-enoyloxypropyl prop-2-enoate

C9H15NO4 — CID 162679005

IUPACazane;3-prop-2-enoyloxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCOC(=O)C=C.N
InChIInChI=1S/C9H12O4.H3N/c1-3-8(10)12-6-5-7-13-9(11)4-2;/h3-4H,1-2,5-7H2;1H3
InChIKeyXZIIVEOUOGNYLA-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.00
Rot. Bonds6

About azane;3-prop-2-enoyloxypropyl prop-2-enoate

azane;3-prop-2-enoyloxypropyl prop-2-enoate (PubChem CID 162679005) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is azane;3-prop-2-enoyloxypropyl prop-2-enoate.

Molecular Properties

Compound Nameazane;3-prop-2-enoyloxypropyl prop-2-enoate
PubChem CID162679005
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameazane;3-prop-2-enoyloxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCOC(=O)C=C.N
InChIInChI=1S/C9H12O4.H3N/c1-3-8(10)12-6-5-7-13-9(11)4-2;/h3-4H,1-2,5-7H2;1H3
InChIKeyXZIIVEOUOGNYLA-UHFFFAOYSA-N
XLogP1.00
TPSA87.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-phosphanylpropyl prop-2-enoate
CID 151934369
azane;octyl prop-2-enoate
CID 175482602
3-(3-hydroxypropoxy)propyl prop-2-enoate
CID 54397362
3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 59641461
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
10-hydroxydecyl prop-2-enoate
CID 14715958
3-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915

Frequently Asked Questions

What is the IUPAC name of azane;3-prop-2-enoyloxypropyl prop-2-enoate?
The IUPAC name of azane;3-prop-2-enoyloxypropyl prop-2-enoate (CID 162679005) is azane;3-prop-2-enoyloxypropyl prop-2-enoate.
What is the SMILES notation for azane;3-prop-2-enoyloxypropyl prop-2-enoate?
The canonical SMILES for azane;3-prop-2-enoyloxypropyl prop-2-enoate is C=CC(=O)OCCCOC(=O)C=C.N.
What is the InChIKey of azane;3-prop-2-enoyloxypropyl prop-2-enoate?
The InChIKey is XZIIVEOUOGNYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4.H3N/c1-3-8(10)12-6-5-7-13-9(11)4-2;/h3-4H,1-2,5-7H2;1H3.
What are the key properties of azane;3-prop-2-enoyloxypropyl prop-2-enoate?
azane;3-prop-2-enoyloxypropyl prop-2-enoate has a molecular weight of 201.22 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-prop-2-enoyloxypropyl prop-2-enoate is sourced from PubChem (CID 162679005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).