4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one

C10H15NO2 — CID 163201011

IUPAC4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one
SMILESC=CCC1(CC=C)OC(=O)NC1C
InChIInChI=1S/C10H15NO2/c1-4-6-10(7-5-2)8(3)11-9(12)13-10/h4-5,8H,1-2,6-7H2,3H3,(H,11,12)
InChIKeyNPOWZMGGVUGLAQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.01
Rot. Bonds4

About 4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one

4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one (PubChem CID 163201011) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one
PubChem CID163201011
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one
SMILESC=CCC1(CC=C)OC(=O)NC1C
InChIInChI=1S/C10H15NO2/c1-4-6-10(7-5-2)8(3)11-9(12)13-10/h4-5,8H,1-2,6-7H2,3H3,(H,11,12)
InChIKeyNPOWZMGGVUGLAQ-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one (CID 163201011) is 4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one is C=CCC1(CC=C)OC(=O)NC1C.
What is the InChIKey of 4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one?
The InChIKey is NPOWZMGGVUGLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-6-10(7-5-2)8(3)11-9(12)13-10/h4-5,8H,1-2,6-7H2,3H3,(H,11,12).
What are the key properties of 4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one?
4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one has a molecular weight of 181.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,5-bis(prop-2-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 163201011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).