2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide

C13H21NO5 — CID 173160147

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide
SMILESC=C(C)C(=O)OCCO.CC(=CCC1CO1)C(N)=O
InChIInChI=1S/C7H11NO2.C6H10O3/c1-5(7(8)9)2-3-6-4-10-6;1-5(2)6(8)9-4-3-7/h2,6H,3-4H2,1H3,(H2,8,9);7H,1,3-4H2,2H3
InChIKeyGMFLVBFEFMVKEL-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.30
Rot. Bonds6

About 2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide

2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide (PubChem CID 173160147) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide
PubChem CID173160147
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide
SMILESC=C(C)C(=O)OCCO.CC(=CCC1CO1)C(N)=O
InChIInChI=1S/C7H11NO2.C6H10O3/c1-5(7(8)9)2-3-6-4-10-6;1-5(2)6(8)9-4-3-7/h2,6H,3-4H2,1H3,(H2,8,9);7H,1,3-4H2,2H3
InChIKeyGMFLVBFEFMVKEL-UHFFFAOYSA-N
XLogP0.30
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol
CID 131732609
2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 86750009
2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enenitrile
CID 159846349
2,3-dihydroxypropyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enoic acid
CID 175776964
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174621798
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate
CID 87356884
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide (CID 173160147) is 2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide is C=C(C)C(=O)OCCO.CC(=CCC1CO1)C(N)=O.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide?
The InChIKey is GMFLVBFEFMVKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C6H10O3/c1-5(7(8)9)2-3-6-4-10-6;1-5(2)6(8)9-4-3-7/h2,6H,3-4H2,1H3,(H2,8,9);7H,1,3-4H2,2H3.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide?
2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide has a molecular weight of 271.31 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide is sourced from PubChem (CID 173160147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).