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

C12H19NO2 — CID 596226

IUPAC3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one
SMILESCOCC1CCCN1C1=CC(=O)CCC1
InChIInChI=1S/C12H19NO2/c1-15-9-11-5-3-7-13(11)10-4-2-6-12(14)8-10/h8,11H,2-7,9H2,1H3
InChIKeyAAUXXPKOLFQLJS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds3

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

3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one (PubChem CID 596226) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one
PubChem CID596226
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one
SMILESCOCC1CCCN1C1=CC(=O)CCC1
InChIInChI=1S/C12H19NO2/c1-15-9-11-5-3-7-13(11)10-4-2-6-12(14)8-10/h8,11H,2-7,9H2,1H3
InChIKeyAAUXXPKOLFQLJS-UHFFFAOYSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one
CID 11447416
methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
CID 15470676
Pyrrolidine, N-(1-cyclopenten-3-one-1-yl)-2-(methoxymethyl)-
CID 591755
Pyrrolidine, N-(1-cyclohexen-3-one-1-yl)-2-(hydroxymethyl)-
CID 596225
Pyrrolidine, N-(5,5-dimethyl-1-cyclohexen-3-one-1-yl)-2-(methoxymethylL)-
CID 605912
ethyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
CID 14979354
3-[[(2S)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one
CID 30033699
3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one
CID 30033701
3-[(Oxolan-2-ylmethyl)amino]cyclohex-2-en-1-one
CID 43841320
3-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one
CID 101121475
3-[Methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one
CID 104787774
3-[Ethyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one
CID 104787778

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one?
The IUPAC name of 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one (CID 596226) is 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one is COCC1CCCN1C1=CC(=O)CCC1.
What is the InChIKey of 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one?
The InChIKey is AAUXXPKOLFQLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-15-9-11-5-3-7-13(11)10-4-2-6-12(14)8-10/h8,11H,2-7,9H2,1H3.
What are the key properties of 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one?
3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 596226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).