2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one

C14H20N2O3 — CID 134941593

IUPAC2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one
SMILESCCc1ccc(C[C@@H](C)C(=O)N2OCCC2=O)n1C
InChIInChI=1S/C14H20N2O3/c1-4-11-5-6-12(15(11)3)9-10(2)14(18)16-13(17)7-8-19-16/h5-6,10H,4,7-9H2,1-3H3/t10-/m1/s1
InChIKeyAONRHAAHZJGKRB-SNVBAGLBSA-N
MW264.32 g/mol
LogP1.46
Rot. Bonds4

About 2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one

2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one (PubChem CID 134941593) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one
PubChem CID134941593
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one
SMILESCCc1ccc(C[C@@H](C)C(=O)N2OCCC2=O)n1C
InChIInChI=1S/C14H20N2O3/c1-4-11-5-6-12(15(11)3)9-10(2)14(18)16-13(17)7-8-19-16/h5-6,10H,4,7-9H2,1-3H3/t10-/m1/s1
InChIKeyAONRHAAHZJGKRB-SNVBAGLBSA-N
XLogP1.46
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one (CID 134941593) is 2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one is CCc1ccc(C[C@@H](C)C(=O)N2OCCC2=O)n1C.
What is the InChIKey of 2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one?
The InChIKey is AONRHAAHZJGKRB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-11-5-6-12(15(11)3)9-10(2)14(18)16-13(17)7-8-19-16/h5-6,10H,4,7-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one?
2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one has a molecular weight of 264.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-(5-ethyl-1-methylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 134941593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).