3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one

C15H23NO3 — CID 15201179

IUPAC3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](CC1CCCCC1)C(=O)N1CCOC1=O
InChIInChI=1S/C15H23NO3/c1-2-6-13(11-12-7-4-3-5-8-12)14(17)16-9-10-19-15(16)18/h2,12-13H,1,3-11H2/t13-/m1/s1
InChIKeyNENQXPGSXPJIGB-CYBMUJFWSA-N
MW265.35 g/mol
LogP3.13
Rot. Bonds5

About 3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one

3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 15201179) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID15201179
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](CC1CCCCC1)C(=O)N1CCOC1=O
InChIInChI=1S/C15H23NO3/c1-2-6-13(11-12-7-4-3-5-8-12)14(17)16-9-10-19-15(16)18/h2,12-13H,1,3-11H2/t13-/m1/s1
InChIKeyNENQXPGSXPJIGB-CYBMUJFWSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.13
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-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one (CID 15201179) is 3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one is C=CC[C@H](CC1CCCCC1)C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is NENQXPGSXPJIGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-6-13(11-12-7-4-3-5-8-12)14(17)16-9-10-19-15(16)18/h2,12-13H,1,3-11H2/t13-/m1/s1.
What are the key properties of 3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 265.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(cyclohexylmethyl)pent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15201179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).