(4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one

C9H15NO2 — CID 101347462

IUPAC(4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C9H15NO2/c1-4-5-10-8(7(2)3)6-12-9(10)11/h4-5,7-8H,6H2,1-3H3/b5-4+/t8-/m1/s1
InChIKeyQFOXOUYPSPYZFS-WTSVBCDHSA-N
MW169.22 g/mol
LogP2.00
Rot. Bonds2

About (4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 101347462) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID101347462
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C9H15NO2/c1-4-5-10-8(7(2)3)6-12-9(10)11/h4-5,7-8H,6H2,1-3H3/b5-4+/t8-/m1/s1
InChIKeyQFOXOUYPSPYZFS-WTSVBCDHSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
CID 85312124
(4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10909689
(4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11772016
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium
CID 145149624
2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde
CID 58821279
(4S)-3-(2,2-dichloroacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 44889097
(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 77106963
(4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one
CID 53359424
(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 25239998
(4S)-3-(2-fluoroprop-2-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 45080957
(4S)-3-(5-methylhex-2-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 91390959
(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139919284

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one (CID 101347462) is (4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one is C/C=C/N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is QFOXOUYPSPYZFS-WTSVBCDHSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-10-8(7(2)3)6-12-9(10)11/h4-5,7-8H,6H2,1-3H3/b5-4+/t8-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101347462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).