1-(propylcarbamoyloxy)ethyl prop-2-enoate

C9H15NO4 — CID 155100969

IUPAC1-(propylcarbamoyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OC(=O)NCCC
InChIInChI=1S/C9H15NO4/c1-4-6-10-9(12)14-7(3)13-8(11)5-2/h5,7H,2,4,6H2,1,3H3,(H,10,12)
InChIKeyLTMFUBUGKPSMAO-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.20
Rot. Bonds5

About 1-(propylcarbamoyloxy)ethyl prop-2-enoate

1-(propylcarbamoyloxy)ethyl prop-2-enoate (PubChem CID 155100969) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(propylcarbamoyloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(propylcarbamoyloxy)ethyl prop-2-enoate
PubChem CID155100969
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(propylcarbamoyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OC(=O)NCCC
InChIInChI=1S/C9H15NO4/c1-4-6-10-9(12)14-7(3)13-8(11)5-2/h5,7H,2,4,6H2,1,3H3,(H,10,12)
InChIKeyLTMFUBUGKPSMAO-UHFFFAOYSA-N
XLogP1.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
dihydroxymethyl N-propylcarbamate
CID 174469308
[(3S)-2-hydroxy-1-oxo-1-(propylamino)hexan-3-yl] prop-2-enoate
CID 57104955
1-carbonochloridoyloxyethyl prop-2-enoate
CID 56990003
2-prop-2-enoyloxyethyl 8-[2,4,6-trioxo-3-[8-oxo-8-(2-prop-2-enoyloxyethoxy)octyl]-5-[6-(1-prop-2-enoyloxyethoxycarbonylamino)hexyl]-1,3,5-triazinan-1-yl]octanoate
CID 58291281
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
CID 170150798
1-prop-2-enoyloxyethyl 2-chloropropanoate
CID 89183597
[(1S)-2-methyl-1-(propylcarbamoyloxy)propyl] 2-methylpropanoate
CID 173052886
1-(butoxycarbonylamino)propan-2-yl prop-2-enoate
CID 141221847
CID 172734708
CID 172734708
2-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl 2-methylbutanoate
CID 58435878

Frequently Asked Questions

What is the IUPAC name of 1-(propylcarbamoyloxy)ethyl prop-2-enoate?
The IUPAC name of 1-(propylcarbamoyloxy)ethyl prop-2-enoate (CID 155100969) is 1-(propylcarbamoyloxy)ethyl prop-2-enoate.
What is the SMILES notation for 1-(propylcarbamoyloxy)ethyl prop-2-enoate?
The canonical SMILES for 1-(propylcarbamoyloxy)ethyl prop-2-enoate is C=CC(=O)OC(C)OC(=O)NCCC.
What is the InChIKey of 1-(propylcarbamoyloxy)ethyl prop-2-enoate?
The InChIKey is LTMFUBUGKPSMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-6-10-9(12)14-7(3)13-8(11)5-2/h5,7H,2,4,6H2,1,3H3,(H,10,12).
What are the key properties of 1-(propylcarbamoyloxy)ethyl prop-2-enoate?
1-(propylcarbamoyloxy)ethyl prop-2-enoate has a molecular weight of 201.22 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylcarbamoyloxy)ethyl prop-2-enoate is sourced from PubChem (CID 155100969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).