4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one

C9H16N2O2 — CID 59355175

IUPAC4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCC1(CN2CCCC2)COC(=O)N1
InChIInChI=1S/C9H16N2O2/c1-9(7-13-8(12)10-9)6-11-4-2-3-5-11/h2-7H2,1H3,(H,10,12)
InChIKeyWGXIYIHDXCNDMR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds2

About 4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one

4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 59355175) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID59355175
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCC1(CN2CCCC2)COC(=O)N1
InChIInChI=1S/C9H16N2O2/c1-9(7-13-8(12)10-9)6-11-4-2-3-5-11/h2-7H2,1H3,(H,10,12)
InChIKeyWGXIYIHDXCNDMR-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one (CID 59355175) is 4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one is CC1(CN2CCCC2)COC(=O)N1.
What is the InChIKey of 4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is WGXIYIHDXCNDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(7-13-8(12)10-9)6-11-4-2-3-5-11/h2-7H2,1H3,(H,10,12).
What are the key properties of 4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one?
4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59355175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).