3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C12H19NO3 — CID 12892386

IUPAC3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCC(C)C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C12H19NO3/c1-5-6-9(4)11(14)13-10(8(2)3)7-16-12(13)15/h5,8-10H,1,6-7H2,2-4H3
InChIKeyMIOBGDQPVWSSTB-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.20
Rot. Bonds4

About 3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 12892386) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID12892386
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCC(C)C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C12H19NO3/c1-5-6-9(4)11(14)13-10(8(2)3)7-16-12(13)15/h5,8-10H,1,6-7H2,2-4H3
InChIKeyMIOBGDQPVWSSTB-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 12892386) is 3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is C=CCC(C)C(=O)N1C(=O)OCC1C(C)C.
What is the InChIKey of 3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MIOBGDQPVWSSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-5-6-9(4)11(14)13-10(8(2)3)7-16-12(13)15/h5,8-10H,1,6-7H2,2-4H3.
What are the key properties of 3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpent-4-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 12892386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).