5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one

C7H11NO2 — CID 534901

IUPAC5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1CC(C)OC1=O
InChIInChI=1S/C7H11NO2/c1-3-4-8-5-6(2)10-7(8)9/h3,6H,1,4-5H2,2H3
InChIKeyOBYJEHDWTLBILZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.01
Rot. Bonds2

About 5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one

5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 534901) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID534901
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1CC(C)OC1=O
InChIInChI=1S/C7H11NO2/c1-3-4-8-5-6(2)10-7(8)9/h3,6H,1,4-5H2,2H3
InChIKeyOBYJEHDWTLBILZ-UHFFFAOYSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-3-(2-propen-1-yl)-2,4-oxazolidinedione
CID 10683
3-Methyl-5-vinyloxazolidin-2-one
CID 10351709
Vinylmethyloxazolidinone
CID 11446331
5-Methyl-3-propyl-1,3-oxazolidin-2-one
CID 13547987
5-Methylene-3-propyl-oxazolidin-2-one
CID 13925891
3-But-3-enyl-1,3-oxazolidin-2-one
CID 45087907
N-methylallyloxazolidinone
CID 132280368
3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one
CID 132539503
5-Methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 11658305
3-Ethyl-5-methyl-1,3-oxazolidin-2-one
CID 13432448
Prop-2-enyl 3-methoxypyrrolidine-1-carboxylate
CID 19915008
3-(1-Methoxyethyl)-5-methyl-1,3-oxazolidin-2-one
CID 21464460

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one (CID 534901) is 5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one is C=CCN1CC(C)OC1=O.
What is the InChIKey of 5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is OBYJEHDWTLBILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-8-5-6(2)10-7(8)9/h3,6H,1,4-5H2,2H3.
What are the key properties of 5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one?
5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 534901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).