2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol

C10H17NO4 — CID 67610429

IUPAC2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol
SMILESC=C(C)C(=O)O.OC=CCC1NCCO1
InChIInChI=1S/C6H11NO2.C4H6O2/c8-4-1-2-6-7-3-5-9-6;1-3(2)4(5)6/h1,4,6-8H,2-3,5H2;1H2,2H3,(H,5,6)
InChIKeyKULVEPKTMXBKKA-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.04
Rot. Bonds3

About 2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol

2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol (PubChem CID 67610429) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol
PubChem CID67610429
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol
SMILESC=C(C)C(=O)O.OC=CCC1NCCO1
InChIInChI=1S/C6H11NO2.C4H6O2/c8-4-1-2-6-7-3-5-9-6;1-3(2)4(5)6/h1,4,6-8H,2-3,5H2;1H2,2H3,(H,5,6)
InChIKeyKULVEPKTMXBKKA-UHFFFAOYSA-N
XLogP1.04
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol?
The IUPAC name of 2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol (CID 67610429) is 2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol.
What is the SMILES notation for 2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol?
The canonical SMILES for 2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol is C=C(C)C(=O)O.OC=CCC1NCCO1.
What is the InChIKey of 2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol?
The InChIKey is KULVEPKTMXBKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C4H6O2/c8-4-1-2-6-7-3-5-9-6;1-3(2)4(5)6/h1,4,6-8H,2-3,5H2;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol?
2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol has a molecular weight of 215.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol is sourced from PubChem (CID 67610429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).