oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate

C14H23NO5 — CID 174862002

IUPACoxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate
SMILESC=C(CNC)C(=O)OCCC.C=CC(=O)OCC1CO1
InChIInChI=1S/C8H15NO2.C6H8O3/c1-4-5-11-8(10)7(2)6-9-3;1-2-6(7)9-4-5-3-8-5/h9H,2,4-6H2,1,3H3;2,5H,1,3-4H2
InChIKeyBWFXEMDMCZBDIB-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.83
Rot. Bonds8

About oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate

oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate (PubChem CID 174862002) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate
PubChem CID174862002
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Nameoxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate
SMILESC=C(CNC)C(=O)OCCC.C=CC(=O)OCC1CO1
InChIInChI=1S/C8H15NO2.C6H8O3/c1-4-5-11-8(10)7(2)6-9-3;1-2-6(7)9-4-5-3-8-5/h9H,2,4-6H2,1,3H3;2,5H,1,3-4H2
InChIKeyBWFXEMDMCZBDIB-UHFFFAOYSA-N
XLogP0.83
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl prop-2-enoate
CID 88777427
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
butyl 2-methylprop-2-enoate;ethene;oxiran-2-ylmethyl prop-2-enoate
CID 135308468
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 6454134
N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate
CID 159926825
butyl prop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87732224
(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate
CID 174820193
1,1-dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl prop-2-enoate
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oxiran-2-ylmethoxycarbonyl prop-2-enoate
CID 174457272
oxiran-2-ylmethyl prop-2-enoate;3-propyloxirene-2-carboxylic acid
CID 158651798
butyl 2-(oxiran-2-ylmethyl)prop-2-enoate;prop-2-enoic acid
CID 175434098

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate?
The IUPAC name of oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate (CID 174862002) is oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate.
What is the SMILES notation for oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate?
The canonical SMILES for oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate is C=C(CNC)C(=O)OCCC.C=CC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate?
The InChIKey is BWFXEMDMCZBDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C6H8O3/c1-4-5-11-8(10)7(2)6-9-3;1-2-6(7)9-4-5-3-8-5/h9H,2,4-6H2,1,3H3;2,5H,1,3-4H2.
What are the key properties of oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate?
oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate has a molecular weight of 285.34 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate is sourced from PubChem (CID 174862002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).