3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C9H15NO3 — CID 90189648

IUPAC3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1C1CCCC1
InChIInChI=1S/C9H15NO3/c11-6-8-5-10(9(12)13-8)7-3-1-2-4-7/h7-8,11H,1-6H2
InChIKeyZSIGVSHEGGVAFH-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.74
Rot. Bonds2

About 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 90189648) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID90189648
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1C1CCCC1
InChIInChI=1S/C9H15NO3/c11-6-8-5-10(9(12)13-8)7-3-1-2-4-7/h7-8,11H,1-6H2
InChIKeyZSIGVSHEGGVAFH-UHFFFAOYSA-N
XLogP0.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 90189648) is 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1OC(CO)CN1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is ZSIGVSHEGGVAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-6-8-5-10(9(12)13-8)7-3-1-2-4-7/h7-8,11H,1-6H2.
What are the key properties of 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90189648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).