2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one

C10H17NO2 — CID 112626361

IUPAC2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one
SMILESO=C1CCCC1N1CCC(CO)C1
InChIInChI=1S/C10H17NO2/c12-7-8-4-5-11(6-8)9-2-1-3-10(9)13/h8-9,12H,1-7H2
InChIKeyUTZWSLAZIXOIPP-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.42
Rot. Bonds2

About 2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one

2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one (PubChem CID 112626361) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one
PubChem CID112626361
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one
SMILESO=C1CCCC1N1CCC(CO)C1
InChIInChI=1S/C10H17NO2/c12-7-8-4-5-11(6-8)9-2-1-3-10(9)13/h8-9,12H,1-7H2
InChIKeyUTZWSLAZIXOIPP-UHFFFAOYSA-N
XLogP0.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one?
The IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one (CID 112626361) is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one?
The canonical SMILES for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one is O=C1CCCC1N1CCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one?
The InChIKey is UTZWSLAZIXOIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-7-8-4-5-11(6-8)9-2-1-3-10(9)13/h8-9,12H,1-7H2.
What are the key properties of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one?
2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one is sourced from PubChem (CID 112626361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).