4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one

C8H13NO2 — CID 89369005

IUPAC4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESC=C1NC(=O)OC1CC(C)C
InChIInChI=1S/C8H13NO2/c1-5(2)4-7-6(3)9-8(10)11-7/h5,7H,3-4H2,1-2H3,(H,9,10)
InChIKeyYIIQPYFANOUTNL-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.65
Rot. Bonds2

About 4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one

4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 89369005) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID89369005
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESC=C1NC(=O)OC1CC(C)C
InChIInChI=1S/C8H13NO2/c1-5(2)4-7-6(3)9-8(10)11-7/h5,7H,3-4H2,1-2H3,(H,9,10)
InChIKeyYIIQPYFANOUTNL-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 89369005) is 4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one is C=C1NC(=O)OC1CC(C)C.
What is the InChIKey of 4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is YIIQPYFANOUTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)4-7-6(3)9-8(10)11-7/h5,7H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 89369005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).