3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one

C12H19NO3 — CID 101272014

IUPAC3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](CC(C)C)C(=O)N1CCOC1=O
InChIInChI=1S/C12H19NO3/c1-4-5-10(8-9(2)3)11(14)13-6-7-16-12(13)15/h4,9-10H,1,5-8H2,2-3H3/t10-/m1/s1
InChIKeyIYAOJLHIHANRED-SNVBAGLBSA-N
MW225.29 g/mol
LogP2.20
Rot. Bonds5

About 3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one

3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 101272014) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID101272014
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](CC(C)C)C(=O)N1CCOC1=O
InChIInChI=1S/C12H19NO3/c1-4-5-10(8-9(2)3)11(14)13-6-7-16-12(13)15/h4,9-10H,1,5-8H2,2-3H3/t10-/m1/s1
InChIKeyIYAOJLHIHANRED-SNVBAGLBSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Oxazolidinone, 3-[(4-methyl-3-cyclohexen-1-yl)carbonyl]-
CID 11735941
3-(2-Prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one
CID 101363299
(S)-3-Hept-6-enoyl-4-isopropyl-oxazolidin-2-one
CID 11053746
(S)-4-isopropyl-3-(4-pentenoyl)-oxazolidin-2-one
CID 11820460
3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 14907283
3-Hex-5-enoyl-1,3-oxazolidin-2-one
CID 14972442
3-(6-Methylhept-6-enoyl)-1,3-oxazolidin-2-one
CID 69202554
3-Hept-6-enoyl-1,3-oxazolidin-2-one
CID 91622577
3-[(2R)-2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 10857564
3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 11031075
(4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13296315
3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 14907282

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one (CID 101272014) is 3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one is C=CC[C@H](CC(C)C)C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is IYAOJLHIHANRED-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-5-10(8-9(2)3)11(14)13-6-7-16-12(13)15/h4,9-10H,1,5-8H2,2-3H3/t10-/m1/s1.
What are the key properties of 3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(2-methylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101272014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).