3-carbamoyloxypropyl prop-2-enoate

C7H11NO4 — CID 58831010

IUPAC3-carbamoyloxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCOC(N)=O
InChIInChI=1S/C7H11NO4/c1-2-6(9)11-4-3-5-12-7(8)10/h2H,1,3-5H2,(H2,8,10)
InChIKeyRPZOCHDHNBYMAO-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.20
Rot. Bonds5

About 3-carbamoyloxypropyl prop-2-enoate

3-carbamoyloxypropyl prop-2-enoate (PubChem CID 58831010) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-carbamoyloxypropyl prop-2-enoate.

Molecular Properties

Compound Name3-carbamoyloxypropyl prop-2-enoate
PubChem CID58831010
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-carbamoyloxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCOC(N)=O
InChIInChI=1S/C7H11NO4/c1-2-6(9)11-4-3-5-12-7(8)10/h2H,1,3-5H2,(H2,8,10)
InChIKeyRPZOCHDHNBYMAO-UHFFFAOYSA-N
XLogP0.20
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
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-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
3-[3-(3-prop-2-enoyloxypropoxy)-2,2-bis(3-prop-2-enoyloxypropoxymethyl)propoxy]propyl prop-2-enoate
CID 123594906
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-phosphanylpropyl prop-2-enoate
CID 151934369
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
12-hydroxydodecyl prop-2-enoate
CID 19859974
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
10-hydroxydecyl prop-2-enoate
CID 14715958

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyloxypropyl prop-2-enoate?
The IUPAC name of 3-carbamoyloxypropyl prop-2-enoate (CID 58831010) is 3-carbamoyloxypropyl prop-2-enoate.
What is the SMILES notation for 3-carbamoyloxypropyl prop-2-enoate?
The canonical SMILES for 3-carbamoyloxypropyl prop-2-enoate is C=CC(=O)OCCCOC(N)=O.
What is the InChIKey of 3-carbamoyloxypropyl prop-2-enoate?
The InChIKey is RPZOCHDHNBYMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-6(9)11-4-3-5-12-7(8)10/h2H,1,3-5H2,(H2,8,10).
What are the key properties of 3-carbamoyloxypropyl prop-2-enoate?
3-carbamoyloxypropyl prop-2-enoate has a molecular weight of 173.17 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyloxypropyl prop-2-enoate is sourced from PubChem (CID 58831010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).