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

C8H13NO2 — CID 123594387

IUPAC4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)C=CC1COC(=O)N1
InChIInChI=1S/C8H13NO2/c1-6(2)3-4-7-5-11-8(10)9-7/h3-4,6-7H,5H2,1-2H3,(H,9,10)
InChIKeyXRPGDBGNFRWJIO-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.31
Rot. Bonds2

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

4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one (PubChem CID 123594387) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one
PubChem CID123594387
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)C=CC1COC(=O)N1
InChIInChI=1S/C8H13NO2/c1-6(2)3-4-7-5-11-8(10)9-7/h3-4,6-7H,5H2,1-2H3,(H,9,10)
InChIKeyXRPGDBGNFRWJIO-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.31
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
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one (CID 123594387) is 4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one is CC(C)C=CC1COC(=O)N1.
What is the InChIKey of 4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one?
The InChIKey is XRPGDBGNFRWJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)3-4-7-5-11-8(10)9-7/h3-4,6-7H,5H2,1-2H3,(H,9,10).
What are the key properties of 4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one?
4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-1-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123594387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).