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

C13H21NO3 — CID 85291110

IUPAC3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CCC(CC(C)(C)C)C(=O)N1CCOC1=O
InChIInChI=1S/C13H21NO3/c1-5-6-10(9-13(2,3)4)11(15)14-7-8-17-12(14)16/h5,10H,1,6-9H2,2-4H3
InChIKeyQKIAUEOYBINBOK-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.59
Rot. Bonds4

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

3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 85291110) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID85291110
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CCC(CC(C)(C)C)C(=O)N1CCOC1=O
InChIInChI=1S/C13H21NO3/c1-5-6-10(9-13(2,3)4)11(15)14-7-8-17-12(14)16/h5,10H,1,6-9H2,2-4H3
InChIKeyQKIAUEOYBINBOK-UHFFFAOYSA-N
XLogP2.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.59
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
(4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139191668
(S)-3-Hept-6-enoyl-4-isopropyl-oxazolidin-2-one
CID 11053746
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-(3-Methylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 14972443
3-(2-Methylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 14972444
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
3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 14907282
3-[(1S)-4-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 14907284

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one (CID 85291110) is 3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one is C=CCC(CC(C)(C)C)C(=O)N1CCOC1=O.
What is the InChIKey of 3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is QKIAUEOYBINBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-6-10(9-13(2,3)4)11(15)14-7-8-17-12(14)16/h5,10H,1,6-9H2,2-4H3.
What are the key properties of 3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 239.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 85291110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).