3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one

C10H15NO3 — CID 14972444

IUPAC3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one
SMILESC=CCCC(C)C(=O)N1CCOC1=O
InChIInChI=1S/C10H15NO3/c1-3-4-5-8(2)9(12)11-6-7-14-10(11)13/h3,8H,1,4-7H2,2H3
InChIKeyMJFVMEVUEUPDPD-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.57
Rot. Bonds4

About 3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one

3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one (PubChem CID 14972444) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one
PubChem CID14972444
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one
SMILESC=CCCC(C)C(=O)N1CCOC1=O
InChIInChI=1S/C10H15NO3/c1-3-4-5-8(2)9(12)11-6-7-14-10(11)13/h3,8H,1,4-7H2,2H3
InChIKeyMJFVMEVUEUPDPD-UHFFFAOYSA-N
XLogP1.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one (CID 14972444) is 3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one is C=CCCC(C)C(=O)N1CCOC1=O.
What is the InChIKey of 3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is MJFVMEVUEUPDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-5-8(2)9(12)11-6-7-14-10(11)13/h3,8H,1,4-7H2,2H3.
What are the key properties of 3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one?
3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylhex-5-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14972444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).