(4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one

C12H16N2O2 — CID 66673007

IUPAC(4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCCn1cccc1/C=C/[C@]1(C)COC(=O)N1
InChIInChI=1S/C12H16N2O2/c1-3-14-8-4-5-10(14)6-7-12(2)9-16-11(15)13-12/h4-8H,3,9H2,1-2H3,(H,13,15)/b7-6+/t12-/m1/s1
InChIKeyNQXCIJIGWGZEET-NNNHXZLVSA-N
MW220.27 g/mol
LogP2.02
Rot. Bonds3

About (4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one

(4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 66673007) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID66673007
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCCn1cccc1/C=C/[C@]1(C)COC(=O)N1
InChIInChI=1S/C12H16N2O2/c1-3-14-8-4-5-10(14)6-7-12(2)9-16-11(15)13-12/h4-8H,3,9H2,1-2H3,(H,13,15)/b7-6+/t12-/m1/s1
InChIKeyNQXCIJIGWGZEET-NNNHXZLVSA-N
XLogP2.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one (CID 66673007) is (4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one is CCn1cccc1/C=C/[C@]1(C)COC(=O)N1.
What is the InChIKey of (4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is NQXCIJIGWGZEET-NNNHXZLVSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-14-8-4-5-10(14)6-7-12(2)9-16-11(15)13-12/h4-8H,3,9H2,1-2H3,(H,13,15)/b7-6+/t12-/m1/s1.
What are the key properties of (4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-2-(1-ethylpyrrol-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 66673007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).