4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene

C8H15NO2 — CID 143059431

IUPAC4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene
SMILESC=C(C)C.CC1COC(=O)N1
InChIInChI=1S/C4H7NO2.C4H8/c1-3-2-7-4(6)5-3;1-4(2)3/h3H,2H2,1H3,(H,5,6);1H2,2-3H3
InChIKeyNBVRUBXAPMYOTF-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.70
Rot. Bonds

About 4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene

4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene (PubChem CID 143059431) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene.

Molecular Properties

Compound Name4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene
PubChem CID143059431
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene
SMILESC=C(C)C.CC1COC(=O)N1
InChIInChI=1S/C4H7NO2.C4H8/c1-3-2-7-4(6)5-3;1-4(2)3/h3H,2H2,1H3,(H,5,6);1H2,2-3H3
InChIKeyNBVRUBXAPMYOTF-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
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

4-methyl-1,3-oxazolidin-2-one;molecular hydrogen
CID 143507654
(4S)-4-acetyl-1,3-oxazolidin-2-one
CID 66831189
(4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one
CID 55288362
5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid
CID 171036716
(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one
CID 130978098
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
4-ethyl-5-methyl-1,3-oxazinan-2-one
CID 89458123
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
4-methylsulfanyl-1,3-oxazolidin-2-one
CID 123293651
(4R)-4-ethyl-1,3-oxazolidin-2-one
CID 641503
(4R)-4-cyclohexyl-1,3-oxazolidin-2-one
CID 13347633
ethane;4-propan-2-yl-1,3-oxazolidin-2-one
CID 143133628

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene?
The IUPAC name of 4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene (CID 143059431) is 4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene.
What is the SMILES notation for 4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene?
The canonical SMILES for 4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene is C=C(C)C.CC1COC(=O)N1.
What is the InChIKey of 4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene?
The InChIKey is NBVRUBXAPMYOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C4H8/c1-3-2-7-4(6)5-3;1-4(2)3/h3H,2H2,1H3,(H,5,6);1H2,2-3H3.
What are the key properties of 4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene?
4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene has a molecular weight of 157.21 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene is sourced from PubChem (CID 143059431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).