(4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one

C13H19NO3 — CID 59080626

IUPAC(4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1COC(=O)N1C(=O)CC1=CCCCC1
InChIInChI=1S/C13H19NO3/c1-2-11-9-17-13(16)14(11)12(15)8-10-6-4-3-5-7-10/h6,11H,2-5,7-9H2,1H3/t11-/m1/s1
InChIKeyBRBBBOWCZJBFPG-LLVKDONJSA-N
MW237.30 g/mol
LogP2.63
Rot. Bonds3

About (4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one

(4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 59080626) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one
PubChem CID59080626
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1COC(=O)N1C(=O)CC1=CCCCC1
InChIInChI=1S/C13H19NO3/c1-2-11-9-17-13(16)14(11)12(15)8-10-6-4-3-5-7-10/h6,11H,2-5,7-9H2,1H3/t11-/m1/s1
InChIKeyBRBBBOWCZJBFPG-LLVKDONJSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.63
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 (4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one (CID 59080626) is (4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one is CC[C@@H]1COC(=O)N1C(=O)CC1=CCCCC1.
What is the InChIKey of (4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is BRBBBOWCZJBFPG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-11-9-17-13(16)14(11)12(15)8-10-6-4-3-5-7-10/h6,11H,2-5,7-9H2,1H3/t11-/m1/s1.
What are the key properties of (4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one?
(4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 237.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(cyclohexen-1-yl)acetyl]-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59080626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).