(5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one

C8H13NO2 — CID 132540448

IUPAC(5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESC/C=C1/CN(C(C)C)C(=O)O1
InChIInChI=1S/C8H13NO2/c1-4-7-5-9(6(2)3)8(10)11-7/h4,6H,5H2,1-3H3/b7-4-
InChIKeyDRPQOCKKCGVLLV-DAXSKMNVSA-N
MW155.20 g/mol
LogP1.75
Rot. Bonds1

About (5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one

(5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 132540448) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID132540448
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESC/C=C1/CN(C(C)C)C(=O)O1
InChIInChI=1S/C8H13NO2/c1-4-7-5-9(6(2)3)8(10)11-7/h4,6H,5H2,1-3H3/b7-4-
InChIKeyDRPQOCKKCGVLLV-DAXSKMNVSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one (CID 132540448) is (5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one is C/C=C1/CN(C(C)C)C(=O)O1.
What is the InChIKey of (5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is DRPQOCKKCGVLLV-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-7-5-9(6(2)3)8(10)11-7/h4,6H,5H2,1-3H3/b7-4-.
What are the key properties of (5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one?
(5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 132540448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).