[2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone

C12H19NO3 — CID 15269733

IUPAC[2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone
SMILESCOCC1CCCN1C(=O)C1(C)C=COC1
InChIInChI=1S/C12H19NO3/c1-12(5-7-16-9-12)11(14)13-6-3-4-10(13)8-15-2/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyITWRQNOAGQFRAT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.17
Rot. Bonds3

About [2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone

[2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone (PubChem CID 15269733) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone
PubChem CID15269733
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone
SMILESCOCC1CCCN1C(=O)C1(C)C=COC1
InChIInChI=1S/C12H19NO3/c1-12(5-7-16-9-12)11(14)13-6-3-4-10(13)8-15-2/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyITWRQNOAGQFRAT-UHFFFAOYSA-N
XLogP1.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 129499508
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 121201498
[2-(methoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 121201480
[5-(aminomethyl)furan-2-yl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 126775705
[5-(aminomethyl)furan-2-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 124686131
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 70853461

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone?
The IUPAC name of [2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone (CID 15269733) is [2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone.
What is the SMILES notation for [2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone?
The canonical SMILES for [2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone is COCC1CCCN1C(=O)C1(C)C=COC1.
What is the InChIKey of [2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone?
The InChIKey is ITWRQNOAGQFRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(5-7-16-9-12)11(14)13-6-3-4-10(13)8-15-2/h5,7,10H,3-4,6,8-9H2,1-2H3.
What are the key properties of [2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone?
[2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone has a molecular weight of 225.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone is sourced from PubChem (CID 15269733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).