[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone

C12H19NO3 — CID 10727900

IUPAC[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone
SMILESCOC[C@@H]1CCCN1C(=O)C1(C)C=CCO1
InChIInChI=1S/C12H19NO3/c1-12(6-4-8-16-12)11(14)13-7-3-5-10(13)9-15-2/h4,6,10H,3,5,7-9H2,1-2H3/t10-,12?/m0/s1
InChIKeyABIOVFYZAOFJIY-NUHJPDEHSA-N
MW225.29 g/mol
LogP0.97
Rot. Bonds3

About [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone

[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone (PubChem CID 10727900) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone
PubChem CID10727900
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone
SMILESCOC[C@@H]1CCCN1C(=O)C1(C)C=CCO1
InChIInChI=1S/C12H19NO3/c1-12(6-4-8-16-12)11(14)13-7-3-5-10(13)9-15-2/h4,6,10H,3,5,7-9H2,1-2H3/t10-,12?/m0/s1
InChIKeyABIOVFYZAOFJIY-NUHJPDEHSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone
CID 11022413
5-methyl-N,N-di(propan-2-yl)-2H-furan-5-carboxamide
CID 10703724
[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone
CID 10539924
[(5S)-4,5-dimethyl-2H-furan-5-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 10561980
[(5R)-4,5-dimethyl-2H-furan-5-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 10680718
[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone
CID 11044267
[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-4,5-dimethyl-2H-furan-5-yl]methanone
CID 11076936
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-4-trimethylsilyl-2H-furan-5-yl)methanone
CID 11141043
[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5R)-5-methyl-4-trimethylsilyl-2H-furan-5-yl]methanone
CID 11198635
[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-5-methyl-2H-furan-5-yl]methanone
CID 12036189
[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-5-(2-methylpropyl)-2H-furan-5-yl]methanone
CID 12061106
[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-5-ethyl-4-methyl-2H-furan-5-yl]methanone
CID 15424599

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone?
The IUPAC name of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone (CID 10727900) is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone?
The canonical SMILES for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone is COC[C@@H]1CCCN1C(=O)C1(C)C=CCO1.
What is the InChIKey of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone?
The InChIKey is ABIOVFYZAOFJIY-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(6-4-8-16-12)11(14)13-7-3-5-10(13)9-15-2/h4,6,10H,3,5,7-9H2,1-2H3/t10-,12?/m0/s1.
What are the key properties of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone?
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone has a molecular weight of 225.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone is sourced from PubChem (CID 10727900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).