(4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one

C12H16N2O2 — CID 67040531

IUPAC(4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one
SMILESCC[C@@]1(C=Cc2cccn2C)COC(=O)N1
InChIInChI=1S/C12H16N2O2/c1-3-12(9-16-11(15)13-12)7-6-10-5-4-8-14(10)2/h4-8H,3,9H2,1-2H3,(H,13,15)/t12-/m1/s1
InChIKeyRDKFNAKIVREQIA-GFCCVEGCSA-N
MW220.27 g/mol
LogP1.93
Rot. Bonds3

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

(4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one (PubChem CID 67040531) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one
PubChem CID67040531
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one
SMILESCC[C@@]1(C=Cc2cccn2C)COC(=O)N1
InChIInChI=1S/C12H16N2O2/c1-3-12(9-16-11(15)13-12)7-6-10-5-4-8-14(10)2/h4-8H,3,9H2,1-2H3,(H,13,15)/t12-/m1/s1
InChIKeyRDKFNAKIVREQIA-GFCCVEGCSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxazolidone, 3-((1-methylpyrrol-2-yl)methyleneamino)-
CID 9589199
2-Oxazolidone, 3-(pyrrol-2-ylmethyleneamino)-
CID 135538369
tert-butyl (3S)-3-methoxy-4-[(1-methylpyrrol-2-yl)methylamino]pyrrolidine-1-carboxylate
CID 84589687
3-[1-[(1-Methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134790769
ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate
CID 2823847
(2R)-1-acetoxy-2-acetylamino-2-methyl-4-(1-methylpyrrol-2-yl)butane
CID 66672660
2-(2-ethenyl-3-methylpyrrol-1-yl)ethyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate
CID 123709584
2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66403777
2,2,2-trifluoroethyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713773
2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine
CID 106705471
Ethyl 2-tert-butyl-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidine-3-carboxylate
CID 11500750
Methyl 2-tert-butyl-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidine-3-carboxylate
CID 11573141

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one (CID 67040531) is (4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one is CC[C@@]1(C=Cc2cccn2C)COC(=O)N1.
What is the InChIKey of (4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one?
The InChIKey is RDKFNAKIVREQIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-12(9-16-11(15)13-12)7-6-10-5-4-8-14(10)2/h4-8H,3,9H2,1-2H3,(H,13,15)/t12-/m1/s1.
What are the key properties of (4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one?
(4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67040531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).