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

C8H13NO2 — CID 90830770

IUPAC4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one
SMILESCC=C(C)CC1COC(=O)N1
InChIInChI=1S/C8H13NO2/c1-3-6(2)4-7-5-11-8(10)9-7/h3,7H,4-5H2,1-2H3,(H,9,10)
InChIKeyGGGKWFVEFDOCBK-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.45
Rot. Bonds2

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

4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one (PubChem CID 90830770) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one
PubChem CID90830770
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one
SMILESCC=C(C)CC1COC(=O)N1
InChIInChI=1S/C8H13NO2/c1-3-6(2)4-7-5-11-8(10)9-7/h3,7H,4-5H2,1-2H3,(H,9,10)
InChIKeyGGGKWFVEFDOCBK-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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

(4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11480568
(4S)-4-(2-Methyl-1-propen-1-yl)-2-oxazolidinone
CID 12167157
(4R)-4-(2-methylbuta-2,3-dienyl)-1,3-oxazolidin-2-one
CID 15420012
(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
(4R)-4-but-3-enyl-1,3-oxazolidin-2-one
CID 640426
4-But-3-enyl-1,3-oxazolidin-2-one
CID 21673738
4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one
CID 19987380
5-Methyl-3,3a,4,6a-tetrahydrocyclopenta[d][1,3]oxazol-2-one
CID 21136469
(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 57463978
(3aR,6aS)-5-methyl-3,3a,4,6a-tetrahydrocyclopenta[d][1,3]oxazol-2-one
CID 59076795
4-(2-Methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 69527292

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one (CID 90830770) is 4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one is CC=C(C)CC1COC(=O)N1.
What is the InChIKey of 4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one?
The InChIKey is GGGKWFVEFDOCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-6(2)4-7-5-11-8(10)9-7/h3,7H,4-5H2,1-2H3,(H,9,10).
What are the key properties of 4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one?
4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbut-2-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90830770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).