N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate

C10H15NO5 — CID 159926825

IUPACN-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate
SMILESC=CC(=O)NCO.C=CC(=O)OCC1CO1
InChIInChI=1S/C6H8O3.C4H7NO2/c1-2-6(7)9-4-5-3-8-5;1-2-4(7)5-3-6/h2,5H,1,3-4H2;2,6H,1,3H2,(H,5,7)
InChIKeyNZCUVJAAAVMINK-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.65
Rot. Bonds5

About N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate

N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate (PubChem CID 159926825) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate.

Molecular Properties

Compound NameN-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate
PubChem CID159926825
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC NameN-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate
SMILESC=CC(=O)NCO.C=CC(=O)OCC1CO1
InChIInChI=1S/C6H8O3.C4H7NO2/c1-2-6(7)9-4-5-3-8-5;1-2-4(7)5-3-6/h2,5H,1,3-4H2;2,6H,1,3H2,(H,5,7)
InChIKeyNZCUVJAAAVMINK-UHFFFAOYSA-N
XLogP-0.65
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 158465618
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate
CID 174820193
oxiran-2-ylmethoxycarbonyl prop-2-enoate
CID 174457272
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
oxiran-2-ylmethyl prop-2-enoate;propyl 2-(methylaminomethyl)prop-2-enoate
CID 174862002
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
oxiran-2-ylmethyl 3-oxopent-4-enoate
CID 57267654
1,1-dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl prop-2-enoate
CID 157375556
2-[2-(oxiran-2-yl)ethylidene]pentanoic acid;oxiran-2-ylmethyl prop-2-enoate
CID 158801899
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate?
The IUPAC name of N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate (CID 159926825) is N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate.
What is the SMILES notation for N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate?
The canonical SMILES for N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate is C=CC(=O)NCO.C=CC(=O)OCC1CO1.
What is the InChIKey of N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate?
The InChIKey is NZCUVJAAAVMINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3.C4H7NO2/c1-2-6(7)9-4-5-3-8-5;1-2-4(7)5-3-6/h2,5H,1,3-4H2;2,6H,1,3H2,(H,5,7).
What are the key properties of N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate?
N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate has a molecular weight of 229.23 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate is sourced from PubChem (CID 159926825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).