N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide

C9H15NO4 — CID 155658790

IUPACN-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(OCCO)C1CO1
InChIInChI=1S/C9H15NO4/c1-6(2)8(12)10-9(7-5-14-7)13-4-3-11/h7,9,11H,1,3-5H2,2H3,(H,10,12)
InChIKeyXVYLANDOBDCSTH-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.59
Rot. Bonds6

About N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide

N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide (PubChem CID 155658790) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide
PubChem CID155658790
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC NameN-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(OCCO)C1CO1
InChIInChI=1S/C9H15NO4/c1-6(2)8(12)10-9(7-5-14-7)13-4-3-11/h7,9,11H,1,3-5H2,2H3,(H,10,12)
InChIKeyXVYLANDOBDCSTH-UHFFFAOYSA-N
XLogP-0.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide
CID 178173984
2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol
CID 87755062
N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
CID 88801162
2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol
CID 131732609
N-(dibutoxymethyl)-2-methylprop-2-enamide
CID 91873110
N-[[4-[[[2,6-dimethyl-4-[(2-methylprop-2-enoylamino)methyl]phenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3,5-dimethylphenyl]methyl]-2-methylprop-2-enamide
CID 139667386
2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 86750009
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
2-methyl-N-[1-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide
CID 18769275
2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol
CID 139962593
N,2-dimethylprop-2-enamide;ethane
CID 142291054
2-(oxiran-2-yl)propane-1,3-diol
CID 18506434

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide (CID 155658790) is N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(OCCO)C1CO1.
What is the InChIKey of N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide?
The InChIKey is XVYLANDOBDCSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(2)8(12)10-9(7-5-14-7)13-4-3-11/h7,9,11H,1,3-5H2,2H3,(H,10,12).
What are the key properties of N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide?
N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide has a molecular weight of 201.22 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxyethoxy(oxiran-2-yl)methyl]-2-methylprop-2-enamide is sourced from PubChem (CID 155658790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).