2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate

C10H13NO5 — CID 129129901

IUPAC2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)CCOC#N
InChIInChI=1S/C10H13NO5/c1-8(2)10(13)16-6-5-15-9(12)3-4-14-7-11/h1,3-6H2,2H3
InChIKeyHMEYYUGMCDBUJX-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.54
Rot. Bonds7

About 2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate

2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate (PubChem CID 129129901) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate
PubChem CID129129901
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)CCOC#N
InChIInChI=1S/C10H13NO5/c1-8(2)10(13)16-6-5-15-9(12)3-4-14-7-11/h1,3-6H2,2H3
InChIKeyHMEYYUGMCDBUJX-UHFFFAOYSA-N
XLogP0.54
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl 4-cyanatobutanoate
CID 129107798
2-(2-methylprop-2-enoyloxy)ethyl 7-cyanatoheptanoate
CID 129129906
2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate
CID 89274312
4-O-chloro 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 140816543
2-(2-methylprop-2-enoyloxy)ethyl 4-chloro-4-oxobutanoate
CID 58942580
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-[3-[[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]disulfanyl]propanoyloxy]ethyl 2-methylprop-2-enoate
CID 155426077
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
2-(2-methylprop-2-enoyloxy)ethyl docosanoate
CID 135130314
2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate
CID 141150360
[4-[3-(2-methylprop-2-enoyloxy)propoxy]-4-oxobutyl] 6-cyanato-2-isocyanatohexanoate
CID 58113305

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate (CID 129129901) is 2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)CCOC#N.
What is the InChIKey of 2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is HMEYYUGMCDBUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-8(2)10(13)16-6-5-15-9(12)3-4-14-7-11/h1,3-6H2,2H3.
What are the key properties of 2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate?
2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 227.22 g/mol, XLogP of 0.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 129129901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).