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

C9H13NO3 — CID 10997691

IUPAC3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one
SMILESCCC/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C9H13NO3/c1-2-3-4-5-8(11)10-6-7-13-9(10)12/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyJTJNYQJBLNODEB-SNAWJCMRSA-N
MW183.21 g/mol
LogP1.32
Rot. Bonds3

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

3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 10997691) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID10997691
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one
SMILESCCC/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C9H13NO3/c1-2-3-4-5-8(11)10-6-7-13-9(10)12/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyJTJNYQJBLNODEB-SNAWJCMRSA-N
XLogP1.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one (CID 10997691) is 3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one is CCC/C=C/C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is JTJNYQJBLNODEB-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-3-4-5-8(11)10-6-7-13-9(10)12/h4-5H,2-3,6-7H2,1H3/b5-4+.
What are the key properties of 3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 183.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hex-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10997691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).