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

C12H16N2O3 — CID 102026619

IUPAC2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one
SMILESC[C@H](Cc1cccn1C)C(=O)N1OCCC1=O
InChIInChI=1S/C12H16N2O3/c1-9(8-10-4-3-6-13(10)2)12(16)14-11(15)5-7-17-14/h3-4,6,9H,5,7-8H2,1-2H3/t9-/m1/s1
InChIKeyGVNYLAMMJZVQBY-SECBINFHSA-N
MW236.27 g/mol
LogP0.89
Rot. Bonds3

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

2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one (PubChem CID 102026619) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one
PubChem CID102026619
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one
SMILESC[C@H](Cc1cccn1C)C(=O)N1OCCC1=O
InChIInChI=1S/C12H16N2O3/c1-9(8-10-4-3-6-13(10)2)12(16)14-11(15)5-7-17-14/h3-4,6,9H,5,7-8H2,1-2H3/t9-/m1/s1
InChIKeyGVNYLAMMJZVQBY-SECBINFHSA-N
XLogP0.89
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one (CID 102026619) is 2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one is C[C@H](Cc1cccn1C)C(=O)N1OCCC1=O.
What is the InChIKey of 2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one?
The InChIKey is GVNYLAMMJZVQBY-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(8-10-4-3-6-13(10)2)12(16)14-11(15)5-7-17-14/h3-4,6,9H,5,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one?
2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one has a molecular weight of 236.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-3-(1-methylpyrrol-2-yl)propanoyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 102026619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).