3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C10H15NO3 — CID 13296267

IUPAC3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC/C=C/C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C10H15NO3/c1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h4-5,7-8H,6H2,1-3H3/b5-4+
InChIKeyYZRHIMNEVFYTAJ-SNAWJCMRSA-N
MW197.23 g/mol
LogP1.57
Rot. Bonds2

About 3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 13296267) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID13296267
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC/C=C/C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C10H15NO3/c1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h4-5,7-8H,6H2,1-3H3/b5-4+
InChIKeyYZRHIMNEVFYTAJ-SNAWJCMRSA-N
XLogP1.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.57
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 3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 13296267) is 3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C/C=C/C(=O)N1C(=O)OCC1C(C)C.
What is the InChIKey of 3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YZRHIMNEVFYTAJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h4-5,7-8H,6H2,1-3H3/b5-4+.
What are the key properties of 3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 13296267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).