N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol

C10H19NO5 — CID 87282894

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol
SMILESC=C(C)C(=O)NC(CO)(CO)CO.C=CO
InChIInChI=1S/C8H15NO4.C2H4O/c1-6(2)7(13)9-8(3-10,4-11)5-12;1-2-3/h10-12H,1,3-5H2,2H3,(H,9,13);2-3H,1H2
InChIKeyNIBYFLQZQCNCEJ-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.92
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol (PubChem CID 87282894) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol
PubChem CID87282894
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol
SMILESC=C(C)C(=O)NC(CO)(CO)CO.C=CO
InChIInChI=1S/C8H15NO4.C2H4O/c1-6(2)7(13)9-8(3-10,4-11)5-12;1-2-3/h10-12H,1,3-5H2,2H3,(H,9,13);2-3H,1H2
InChIKeyNIBYFLQZQCNCEJ-UHFFFAOYSA-N
XLogP-0.92
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol (CID 87282894) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol is C=C(C)C(=O)NC(CO)(CO)CO.C=CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol?
The InChIKey is NIBYFLQZQCNCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4.C2H4O/c1-6(2)7(13)9-8(3-10,4-11)5-12;1-2-3/h10-12H,1,3-5H2,2H3,(H,9,13);2-3H,1H2.
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol has a molecular weight of 233.26 g/mol, XLogP of -0.92, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol is sourced from PubChem (CID 87282894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).