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

C11H17NO2 — CID 596225

IUPAC3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one
SMILESO=C1C=C(N2CCCC2CO)CCC1
InChIInChI=1S/C11H17NO2/c13-8-10-4-2-6-12(10)9-3-1-5-11(14)7-9/h7,10,13H,1-6,8H2
InChIKeyFVCGCKHRUHGJDG-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.08
Rot. Bonds2

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

3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one (PubChem CID 596225) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one
PubChem CID596225
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one
SMILESO=C1C=C(N2CCCC2CO)CCC1
InChIInChI=1S/C11H17NO2/c13-8-10-4-2-6-12(10)9-3-1-5-11(14)7-9/h7,10,13H,1-6,8H2
InChIKeyFVCGCKHRUHGJDG-UHFFFAOYSA-N
XLogP1.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one?
The IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one (CID 596225) is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one is O=C1C=C(N2CCCC2CO)CCC1.
What is the InChIKey of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one?
The InChIKey is FVCGCKHRUHGJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-8-10-4-2-6-12(10)9-3-1-5-11(14)7-9/h7,10,13H,1-6,8H2.
What are the key properties of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one?
3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 596225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).