3-but-3-enyl-1,3-oxazolidin-2-id-4-one

C7H10NO2- — CID 154421049

IUPAC3-but-3-enyl-1,3-oxazolidin-2-id-4-one
SMILESC=CCCN1[CH-]OCC1=O
InChIInChI=1S/C7H10NO2/c1-2-3-4-8-6-10-5-7(8)9/h2,6H,1,3-5H2/q-1
InChIKeyLLZYXAJYESBNBX-UHFFFAOYSA-N
MW140.16 g/mol
LogP0.54
Rot. Bonds3

About 3-but-3-enyl-1,3-oxazolidin-2-id-4-one

3-but-3-enyl-1,3-oxazolidin-2-id-4-one (PubChem CID 154421049) has the molecular formula C7H10NO2- and a molecular weight of 140.16 g/mol. Its IUPAC name is 3-but-3-enyl-1,3-oxazolidin-2-id-4-one.

Molecular Properties

Compound Name3-but-3-enyl-1,3-oxazolidin-2-id-4-one
PubChem CID154421049
Molecular FormulaC7H10NO2-
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name3-but-3-enyl-1,3-oxazolidin-2-id-4-one
SMILESC=CCCN1[CH-]OCC1=O
InChIInChI=1S/C7H10NO2/c1-2-3-4-8-6-10-5-7(8)9/h2,6H,1,3-5H2/q-1
InChIKeyLLZYXAJYESBNBX-UHFFFAOYSA-N
XLogP0.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-1,3-oxazolidin-2-id-4-one?
The IUPAC name of 3-but-3-enyl-1,3-oxazolidin-2-id-4-one (CID 154421049) is 3-but-3-enyl-1,3-oxazolidin-2-id-4-one.
What is the SMILES notation for 3-but-3-enyl-1,3-oxazolidin-2-id-4-one?
The canonical SMILES for 3-but-3-enyl-1,3-oxazolidin-2-id-4-one is C=CCCN1[CH-]OCC1=O.
What is the InChIKey of 3-but-3-enyl-1,3-oxazolidin-2-id-4-one?
The InChIKey is LLZYXAJYESBNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO2/c1-2-3-4-8-6-10-5-7(8)9/h2,6H,1,3-5H2/q-1.
What are the key properties of 3-but-3-enyl-1,3-oxazolidin-2-id-4-one?
3-but-3-enyl-1,3-oxazolidin-2-id-4-one has a molecular weight of 140.16 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-1,3-oxazolidin-2-id-4-one is sourced from PubChem (CID 154421049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).