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

C9H13NO3 — CID 11412761

IUPAC(4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C9H13NO3/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h4,6-7H,1,5H2,2-3H3/t7-/m0/s1
InChIKeyIBOZASCWYRXCIQ-ZETCQYMHSA-N
MW183.21 g/mol
LogP1.18
Rot. Bonds2

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

(4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one (PubChem CID 11412761) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
PubChem CID11412761
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C9H13NO3/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h4,6-7H,1,5H2,2-3H3/t7-/m0/s1
InChIKeyIBOZASCWYRXCIQ-ZETCQYMHSA-N
XLogP1.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.18
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 (4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one (CID 11412761) is (4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one is C=CC(=O)N1C(=O)OC[C@H]1C(C)C.
What is the InChIKey of (4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The InChIKey is IBOZASCWYRXCIQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO3/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h4,6-7H,1,5H2,2-3H3/t7-/m0/s1.
What are the key properties of (4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
(4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one has a molecular weight of 183.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11412761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).