3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one

C10H11NO3 — CID 15195505

IUPAC3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one
SMILESCC#C/C(C)=C/C(=O)N1CCOC1=O
InChIInChI=1S/C10H11NO3/c1-3-4-8(2)7-9(12)11-5-6-14-10(11)13/h7H,5-6H2,1-2H3/b8-7+
InChIKeyQQBXYVHMLQCHEY-BQYQJAHWSA-N
MW193.20 g/mol
LogP0.93
Rot. Bonds1

About 3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one

3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one (PubChem CID 15195505) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one
PubChem CID15195505
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one
SMILESCC#C/C(C)=C/C(=O)N1CCOC1=O
InChIInChI=1S/C10H11NO3/c1-3-4-8(2)7-9(12)11-5-6-14-10(11)13/h7H,5-6H2,1-2H3/b8-7+
InChIKeyQQBXYVHMLQCHEY-BQYQJAHWSA-N
XLogP0.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one (CID 15195505) is 3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one is CC#C/C(C)=C/C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one?
The InChIKey is QQBXYVHMLQCHEY-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-4-8(2)7-9(12)11-5-6-14-10(11)13/h7H,5-6H2,1-2H3/b8-7+.
What are the key properties of 3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one?
3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one has a molecular weight of 193.20 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-methylhex-2-en-4-ynoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15195505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).