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

C9H15NO2 — CID 123173596

IUPAC4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C=CC1COC(=O)N1
InChIInChI=1S/C9H15NO2/c1-9(2,3)5-4-7-6-12-8(11)10-7/h4-5,7H,6H2,1-3H3,(H,10,11)
InChIKeyBDGAFDVDZXXMMK-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.70
Rot. Bonds1

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

4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one (PubChem CID 123173596) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one
PubChem CID123173596
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C=CC1COC(=O)N1
InChIInChI=1S/C9H15NO2/c1-9(2,3)5-4-7-6-12-8(11)10-7/h4-5,7H,6H2,1-3H3,(H,10,11)
InChIKeyBDGAFDVDZXXMMK-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

(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-(3-methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 162410724
tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate
CID 178201497
4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
CID 14840510
(R)-4-Vinyloxazolidin-2-one
CID 14982205
4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one
CID 23405613
4-(2-Methylprop-1-enyl)-1,3-oxazolidin-2-one
CID 85435878
(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one
CID 89265464
4-(4,4-Dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one
CID 118600707
4-Hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one
CID 123363079

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one (CID 123173596) is 4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one is CC(C)(C)C=CC1COC(=O)N1.
What is the InChIKey of 4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one?
The InChIKey is BDGAFDVDZXXMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,3)5-4-7-6-12-8(11)10-7/h4-5,7H,6H2,1-3H3,(H,10,11).
What are the key properties of 4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one?
4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbut-1-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123173596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).