2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one

C11H19NO2 — CID 62613219

IUPAC2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one
SMILESO=C1CCCC1CN1CCCC1CO
InChIInChI=1S/C11H19NO2/c13-8-10-4-2-6-12(10)7-9-3-1-5-11(9)14/h9-10,13H,1-8H2
InChIKeyJVLVGXUQCMHBOK-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.81
Rot. Bonds3

About 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one

2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one (PubChem CID 62613219) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one
PubChem CID62613219
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one
SMILESO=C1CCCC1CN1CCCC1CO
InChIInChI=1S/C11H19NO2/c13-8-10-4-2-6-12(10)7-9-3-1-5-11(9)14/h9-10,13H,1-8H2
InChIKeyJVLVGXUQCMHBOK-UHFFFAOYSA-N
XLogP0.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one (CID 62613219) is 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one is O=C1CCCC1CN1CCCC1CO.
What is the InChIKey of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one?
The InChIKey is JVLVGXUQCMHBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-8-10-4-2-6-12(10)7-9-3-1-5-11(9)14/h9-10,13H,1-8H2.
What are the key properties of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one?
2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one has a molecular weight of 197.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one is sourced from PubChem (CID 62613219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).