3-pent-4-enoyl-1,3-oxazolidin-2-one;propane

C11H19NO3 — CID 142073193

IUPAC3-pent-4-enoyl-1,3-oxazolidin-2-one;propane
SMILESC=CCCC(=O)N1CCOC1=O.CCC
InChIInChI=1S/C8H11NO3.C3H8/c1-2-3-4-7(10)9-5-6-12-8(9)11;1-3-2/h2H,1,3-6H2;3H2,1-2H3
InChIKeyFYRPYBRGKARQBE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.35
Rot. Bonds3

About 3-pent-4-enoyl-1,3-oxazolidin-2-one;propane

3-pent-4-enoyl-1,3-oxazolidin-2-one;propane (PubChem CID 142073193) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-pent-4-enoyl-1,3-oxazolidin-2-one;propane.

Molecular Properties

Compound Name3-pent-4-enoyl-1,3-oxazolidin-2-one;propane
PubChem CID142073193
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-pent-4-enoyl-1,3-oxazolidin-2-one;propane
SMILESC=CCCC(=O)N1CCOC1=O.CCC
InChIInChI=1S/C8H11NO3.C3H8/c1-2-3-4-7(10)9-5-6-12-8(9)11;1-3-2/h2H,1,3-6H2;3H2,1-2H3
InChIKeyFYRPYBRGKARQBE-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-4-isopropyl-3-(4-pentenoyl)-oxazolidin-2-one
CID 11820460
But-3-enoyloxazolidinone
CID 15327399
3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one
CID 166444313
3-Hex-5-enoyl-1,3-oxazolidin-2-one
CID 14972442
3-Hept-6-enoyl-1,3-oxazolidin-2-one
CID 91622577
3-(2-Methylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 85727474
3-(2-Ethylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 102092257
3-(7-Methoxyhept-6-enoyl)-1,3-oxazolidin-2-one
CID 131887030
(4S)-3-[(2R)-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134997846
3-But-3-enoyl-1,3-oxazolidin-2-one
CID 135015962
3-(3,3-Dimethylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 135042937
4,4-Dimethyl-3-(2-methylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 135059860

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enoyl-1,3-oxazolidin-2-one;propane?
The IUPAC name of 3-pent-4-enoyl-1,3-oxazolidin-2-one;propane (CID 142073193) is 3-pent-4-enoyl-1,3-oxazolidin-2-one;propane.
What is the SMILES notation for 3-pent-4-enoyl-1,3-oxazolidin-2-one;propane?
The canonical SMILES for 3-pent-4-enoyl-1,3-oxazolidin-2-one;propane is C=CCCC(=O)N1CCOC1=O.CCC.
What is the InChIKey of 3-pent-4-enoyl-1,3-oxazolidin-2-one;propane?
The InChIKey is FYRPYBRGKARQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3.C3H8/c1-2-3-4-7(10)9-5-6-12-8(9)11;1-3-2/h2H,1,3-6H2;3H2,1-2H3.
What are the key properties of 3-pent-4-enoyl-1,3-oxazolidin-2-one;propane?
3-pent-4-enoyl-1,3-oxazolidin-2-one;propane has a molecular weight of 213.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enoyl-1,3-oxazolidin-2-one;propane is sourced from PubChem (CID 142073193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).