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

C11H20N2O5 — CID 87711694

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide
SMILESC=C(C)C(=O)NC(CO)(CO)CO.C=CC(N)=O
InChIInChI=1S/C8H15NO4.C3H5NO/c1-6(2)7(13)9-8(3-10,4-11)5-12;1-2-3(4)5/h10-12H,1,3-5H2,2H3,(H,9,13);2H,1H2,(H2,4,5)
InChIKeyTZQJVZCAWZEVNJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP-1.95
Rot. Bonds6

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

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide (PubChem CID 87711694) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide
PubChem CID87711694
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide
SMILESC=C(C)C(=O)NC(CO)(CO)CO.C=CC(N)=O
InChIInChI=1S/C8H15NO4.C3H5NO/c1-6(2)7(13)9-8(3-10,4-11)5-12;1-2-3(4)5/h10-12H,1,3-5H2,2H3,(H,9,13);2H,1H2,(H2,4,5)
InChIKeyTZQJVZCAWZEVNJ-UHFFFAOYSA-N
XLogP-1.95
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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;prop-2-enamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide (CID 87711694) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide is C=C(C)C(=O)NC(CO)(CO)CO.C=CC(N)=O.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide?
The InChIKey is TZQJVZCAWZEVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4.C3H5NO/c1-6(2)7(13)9-8(3-10,4-11)5-12;1-2-3(4)5/h10-12H,1,3-5H2,2H3,(H,9,13);2H,1H2,(H2,4,5).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;prop-2-enamide has a molecular weight of 260.29 g/mol, XLogP of -1.95, 6 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;prop-2-enamide is sourced from PubChem (CID 87711694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).