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

C8H13NO2 — CID 139241460

IUPAC(5E)-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-QPJJXVBHSA-N
MW155.20 g/mol
LogP1.75
Rot. Bonds1

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

(5E)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 139241460) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (5E)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5E)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID139241460
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(5E)-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-QPJJXVBHSA-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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Related Compounds

3-Butyl-5-methyleneoxazolidin-2-one
CID 10702044
5-Methylene-3-propyl-oxazolidin-2-one
CID 13925891
2-Oxazolidinone, 5-ethylidene-3-methyl-
CID 85997649
(5Z)-3-ethyl-5-ethylidene-1,3-oxazolidin-2-one
CID 102228197
(5Z)-5-ethylidene-3-propyl-1,3-oxazolidin-2-one
CID 102347063
3-Isopropyl-5-ethylidene-1,3-oxazolidin-2-one
CID 132493887
(5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one
CID 139241459
4,4-Dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 11768937
5-Methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 11658305
2-Oxazolidinone, 3,4-dimethyl-5-methylene-
CID 45087299
3-Tert-butyl-5-methylidene-1,3-oxazolidin-2-one
CID 123827412
3-Ethyl-5-methylidene-1,3-oxazolidin-2-one
CID 11550010

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (5E)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one (CID 139241460) is (5E)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5E)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (5E)-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 (5E)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is DRPQOCKKCGVLLV-QPJJXVBHSA-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 (5E)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one?
(5E)-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 (5E)-5-ethylidene-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139241460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).