4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one

C7H11NO2 — CID 85435878

IUPAC4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)=CC1COC(=O)N1
InChIInChI=1S/C7H11NO2/c1-5(2)3-6-4-10-7(9)8-6/h3,6H,4H2,1-2H3,(H,8,9)
InChIKeyFMYBIOSBFOCLMT-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.06
Rot. Bonds1

About 4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one

4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one (PubChem CID 85435878) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one
PubChem CID85435878
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)=CC1COC(=O)N1
InChIInChI=1S/C7H11NO2/c1-5(2)3-6-4-10-7(9)8-6/h3,6H,4H2,1-2H3,(H,8,9)
InChIKeyFMYBIOSBFOCLMT-UHFFFAOYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.06
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

(S)-4-Vinyloxazolidin-2-one
CID 11116019
4-Vinyloxazolidin-2-one
CID 14982204
(4S)-4-(2-Methyl-1-propen-1-yl)-2-oxazolidinone
CID 12167157
(4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one
CID 101175355
(4S)-4-(3-methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 162410724
4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
CID 14840510
(R)-4-Vinyloxazolidin-2-one
CID 14982205
(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one
CID 89265464
(4R)-4-prop-1-en-2-yl-1,3-oxazolidin-2-one
CID 89476713
4-(2-Methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 90830770
4-(4,4-Dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one
CID 118600707
4-(3,3-Dimethylbut-1-enyl)-1,3-oxazolidin-2-one
CID 123173596

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one (CID 85435878) is 4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one is CC(C)=CC1COC(=O)N1.
What is the InChIKey of 4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one?
The InChIKey is FMYBIOSBFOCLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(2)3-6-4-10-7(9)8-6/h3,6H,4H2,1-2H3,(H,8,9).
What are the key properties of 4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one?
4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 85435878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).