3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one

C10H17NO2 — CID 102389602

IUPAC3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one
SMILESCC(C)C/C=C/CN1CCOC1=O
InChIInChI=1S/C10H17NO2/c1-9(2)5-3-4-6-11-7-8-13-10(11)12/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyLJPGAOGYASSOIG-ONEGZZNKSA-N
MW183.25 g/mol
LogP2.04
Rot. Bonds4

About 3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one

3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 102389602) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one
PubChem CID102389602
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one
SMILESCC(C)C/C=C/CN1CCOC1=O
InChIInChI=1S/C10H17NO2/c1-9(2)5-3-4-6-11-7-8-13-10(11)12/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyLJPGAOGYASSOIG-ONEGZZNKSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
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 3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one (CID 102389602) is 3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one is CC(C)C/C=C/CN1CCOC1=O.
What is the InChIKey of 3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is LJPGAOGYASSOIG-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2)5-3-4-6-11-7-8-13-10(11)12/h3-4,9H,5-8H2,1-2H3/b4-3+.
What are the key properties of 3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one?
3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-5-methylhex-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102389602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).