5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one

C10H17NO2 — CID 130024180

IUPAC5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC(C)C1OC(=O)NC1C(C)C
InChIInChI=1S/C10H17NO2/c1-5-7(4)9-8(6(2)3)11-10(12)13-9/h5-9H,1H2,2-4H3,(H,11,12)
InChIKeyLLLCVFAQBLAGBG-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.94
Rot. Bonds3

About 5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one

5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 130024180) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID130024180
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC(C)C1OC(=O)NC1C(C)C
InChIInChI=1S/C10H17NO2/c1-5-7(4)9-8(6(2)3)11-10(12)13-9/h5-9H,1H2,2-4H3,(H,11,12)
InChIKeyLLLCVFAQBLAGBG-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.94
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

(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one
CID 59706737
5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14325962
4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 14023307
(4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14023289
methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate
CID 102256348
(4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10587635
(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70829759
(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102013687
(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 135043486
(4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one
CID 11182889
5-but-3-en-2-ylpyrrolidin-2-one
CID 174843717
(4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 130754451

Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 130024180) is 5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one is C=CC(C)C1OC(=O)NC1C(C)C.
What is the InChIKey of 5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LLLCVFAQBLAGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-7(4)9-8(6(2)3)11-10(12)13-9/h5-9H,1H2,2-4H3,(H,11,12).
What are the key properties of 5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one?
5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130024180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).