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

C11H16N2O2 — CID 18448138

IUPAC(4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one
SMILESCn1cccc1CC[C@]1(C)COC(=O)N1
InChIInChI=1S/C11H16N2O2/c1-11(8-15-10(14)12-11)6-5-9-4-3-7-13(9)2/h3-4,7H,5-6,8H2,1-2H3,(H,12,14)/t11-/m1/s1
InChIKeyCKSKXDFEFPCTEH-LLVKDONJSA-N
MW208.26 g/mol
LogP1.46
Rot. Bonds3

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

(4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 18448138) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID18448138
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one
SMILESCn1cccc1CC[C@]1(C)COC(=O)N1
InChIInChI=1S/C11H16N2O2/c1-11(8-15-10(14)12-11)6-5-9-4-3-7-13(9)2/h3-4,7H,5-6,8H2,1-2H3,(H,12,14)/t11-/m1/s1
InChIKeyCKSKXDFEFPCTEH-LLVKDONJSA-N
XLogP1.46
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one (CID 18448138) is (4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one is Cn1cccc1CC[C@]1(C)COC(=O)N1.
What is the InChIKey of (4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is CKSKXDFEFPCTEH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(8-15-10(14)12-11)6-5-9-4-3-7-13(9)2/h3-4,7H,5-6,8H2,1-2H3,(H,12,14)/t11-/m1/s1.
What are the key properties of (4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one?
(4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18448138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).