1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one

C11H19NO3 — CID 102039439

IUPAC1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one
SMILESC=CC(=O)N1C(OC)C(C)(C)OC1(C)C
InChIInChI=1S/C11H19NO3/c1-7-8(13)12-9(14-6)10(2,3)15-11(12,4)5/h7,9H,1H2,2-6H3
InChIKeyZZDFNOJOVDPCQZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.52
Rot. Bonds2

About 1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one

1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one (PubChem CID 102039439) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one
PubChem CID102039439
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one
SMILESC=CC(=O)N1C(OC)C(C)(C)OC1(C)C
InChIInChI=1S/C11H19NO3/c1-7-8(13)12-9(14-6)10(2,3)15-11(12,4)5/h7,9H,1H2,2-6H3
InChIKeyZZDFNOJOVDPCQZ-UHFFFAOYSA-N
XLogP1.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one (CID 102039439) is 1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one is C=CC(=O)N1C(OC)C(C)(C)OC1(C)C.
What is the InChIKey of 1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one?
The InChIKey is ZZDFNOJOVDPCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7-8(13)12-9(14-6)10(2,3)15-11(12,4)5/h7,9H,1H2,2-6H3.
What are the key properties of 1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one?
1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one has a molecular weight of 213.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 102039439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).