cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

C13H23NO2 — CID 110869949

IUPACcyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-16-10-12-8-5-9-14(12)13(15)11-6-3-2-4-7-11/h11-12H,2-10H2,1H3
InChIKeyQGJFTFSPRDJYBQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds3

About cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 110869949) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID110869949
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-16-10-12-8-5-9-14(12)13(15)11-6-3-2-4-7-11/h11-12H,2-10H2,1H3
InChIKeyQGJFTFSPRDJYBQ-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511
[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 124686128
[2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 121201544
[(2R)-2-(methoxymethyl)piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129359593
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129359602
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 155944065

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 110869949) is cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is QGJFTFSPRDJYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-16-10-12-8-5-9-14(12)13(15)11-6-3-2-4-7-11/h11-12H,2-10H2,1H3.
What are the key properties of cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 225.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110869949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).