3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one

C11H17NO3 — CID 10632296

IUPAC3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one
SMILESCCCCC/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C11H17NO3/c1-2-3-4-5-6-7-10(13)12-8-9-15-11(12)14/h6-7H,2-5,8-9H2,1H3/b7-6+
InChIKeyCWKJMKYKGDVHMD-VOTSOKGWSA-N
MW211.26 g/mol
LogP2.10
Rot. Bonds5

About 3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 10632296) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID10632296
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one
SMILESCCCCC/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C11H17NO3/c1-2-3-4-5-6-7-10(13)12-8-9-15-11(12)14/h6-7H,2-5,8-9H2,1H3/b7-6+
InChIKeyCWKJMKYKGDVHMD-VOTSOKGWSA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one (CID 10632296) is 3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one is CCCCC/C=C/C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is CWKJMKYKGDVHMD-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-4-5-6-7-10(13)12-8-9-15-11(12)14/h6-7H,2-5,8-9H2,1H3/b7-6+.
What are the key properties of 3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-oct-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10632296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).