3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one

C9H14N2O2 — CID 91122217

IUPAC3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one
SMILES[H]/N=C(\C)C/C=C(\C)N1CCOC1=O
InChIInChI=1S/C9H14N2O2/c1-7(10)3-4-8(2)11-5-6-13-9(11)12/h4,10H,3,5-6H2,1-2H3/b8-4+,10-7+
InChIKeyPWNLSOOMHMXDAU-AJQRHIRFSA-N
MW182.22 g/mol
LogP1.77
Rot. Bonds3

About 3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one

3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one (PubChem CID 91122217) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one
PubChem CID91122217
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one
SMILES[H]/N=C(\C)C/C=C(\C)N1CCOC1=O
InChIInChI=1S/C9H14N2O2/c1-7(10)3-4-8(2)11-5-6-13-9(11)12/h4,10H,3,5-6H2,1-2H3/b8-4+,10-7+
InChIKeyPWNLSOOMHMXDAU-AJQRHIRFSA-N
XLogP1.77
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one (CID 91122217) is 3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one is [H]/N=C(\C)C/C=C(\C)N1CCOC1=O.
What is the InChIKey of 3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is PWNLSOOMHMXDAU-AJQRHIRFSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(10)3-4-8(2)11-5-6-13-9(11)12/h4,10H,3,5-6H2,1-2H3/b8-4+,10-7+.
What are the key properties of 3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one?
3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 91122217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).