4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one

C9H15NO2 — CID 14023307

IUPAC4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCC1OC(=O)NC1C(C)C
InChIInChI=1S/C9H15NO2/c1-4-5-7-8(6(2)3)10-9(11)12-7/h4,6-8H,1,5H2,2-3H3,(H,10,11)
InChIKeyRYBAKAACGGINQL-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.70
Rot. Bonds3

About 4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one

4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 14023307) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID14023307
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCC1OC(=O)NC1C(C)C
InChIInChI=1S/C9H15NO2/c1-4-5-7-8(6(2)3)10-9(11)12-7/h4,6-8H,1,5H2,2-3H3,(H,10,11)
InChIKeyRYBAKAACGGINQL-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14023289
5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14325962
4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 14083777
5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130024180
4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one
CID 67427940
(4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 89033364
(4R,5S)-4-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 42646423
methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate
CID 102256348
(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70829759
(4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 67112111
(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102013687
(4S,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one
CID 14841707

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one (CID 14023307) is 4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one is C=CCC1OC(=O)NC1C(C)C.
What is the InChIKey of 4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is RYBAKAACGGINQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-7-8(6(2)3)10-9(11)12-7/h4,6-8H,1,5H2,2-3H3,(H,10,11).
What are the key properties of 4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one?
4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14023307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).