2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one

C11H14N2O3 — CID 102026624

IUPAC2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one
SMILESC[C@H](Cc1ccc[nH]1)C(=O)N1OCCC1=O
InChIInChI=1S/C11H14N2O3/c1-8(7-9-3-2-5-12-9)11(15)13-10(14)4-6-16-13/h2-3,5,8,12H,4,6-7H2,1H3/t8-/m1/s1
InChIKeyMODBLXUZXLWEEV-MRVPVSSYSA-N
MW222.24 g/mol
LogP0.88
Rot. Bonds3

About 2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one

2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one (PubChem CID 102026624) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one
PubChem CID102026624
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one
SMILESC[C@H](Cc1ccc[nH]1)C(=O)N1OCCC1=O
InChIInChI=1S/C11H14N2O3/c1-8(7-9-3-2-5-12-9)11(15)13-10(14)4-6-16-13/h2-3,5,8,12H,4,6-7H2,1H3/t8-/m1/s1
InChIKeyMODBLXUZXLWEEV-MRVPVSSYSA-N
XLogP0.88
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one (CID 102026624) is 2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one is C[C@H](Cc1ccc[nH]1)C(=O)N1OCCC1=O.
What is the InChIKey of 2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one?
The InChIKey is MODBLXUZXLWEEV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(7-9-3-2-5-12-9)11(15)13-10(14)4-6-16-13/h2-3,5,8,12H,4,6-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one?
2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one has a molecular weight of 222.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-3-(1H-pyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 102026624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).