(4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one

C8H13NO3 — CID 11126719

IUPAC(4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C8H13NO3/c1-5(2)7-4-12-8(11)9(7)6(3)10/h5,7H,4H2,1-3H3/t7-/m1/s1
InChIKeyDDLQJZMVXVQYJT-SSDOTTSWSA-N
MW171.20 g/mol
LogP1.01
Rot. Bonds1

About (4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11126719) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11126719
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C8H13NO3/c1-5(2)7-4-12-8(11)9(7)6(3)10/h5,7H,4H2,1-3H3/t7-/m1/s1
InChIKeyDDLQJZMVXVQYJT-SSDOTTSWSA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11126719) is (4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is DDLQJZMVXVQYJT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(2)7-4-12-8(11)9(7)6(3)10/h5,7H,4H2,1-3H3/t7-/m1/s1.
What are the key properties of (4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-acetyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11126719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).