[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone

C15H25NO4 — CID 11044267

IUPAC[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone
SMILESCOC[C@@H]1CC[C@@H](COC)N1C(=O)[C@@]1(C)OCC=C1C
InChIInChI=1S/C15H25NO4/c1-11-7-8-20-15(11,2)14(17)16-12(9-18-3)5-6-13(16)10-19-4/h7,12-13H,5-6,8-10H2,1-4H3/t12-,13-,15-/m0/s1
InChIKeyGORHUFQFZQRZKV-YDHLFZDLSA-N
MW283.37 g/mol
LogP1.37
Rot. Bonds5

About [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone

[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone (PubChem CID 11044267) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone.

Molecular Properties

Compound Name[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone
PubChem CID11044267
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone
SMILESCOC[C@@H]1CC[C@@H](COC)N1C(=O)[C@@]1(C)OCC=C1C
InChIInChI=1S/C15H25NO4/c1-11-7-8-20-15(11,2)14(17)16-12(9-18-3)5-6-13(16)10-19-4/h7,12-13H,5-6,8-10H2,1-4H3/t12-,13-,15-/m0/s1
InChIKeyGORHUFQFZQRZKV-YDHLFZDLSA-N
XLogP1.37
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone?
The IUPAC name of [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone (CID 11044267) is [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone.
What is the SMILES notation for [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone?
The canonical SMILES for [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone is COC[C@@H]1CC[C@@H](COC)N1C(=O)[C@@]1(C)OCC=C1C.
What is the InChIKey of [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone?
The InChIKey is GORHUFQFZQRZKV-YDHLFZDLSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11-7-8-20-15(11,2)14(17)16-12(9-18-3)5-6-13(16)10-19-4/h7,12-13H,5-6,8-10H2,1-4H3/t12-,13-,15-/m0/s1.
What are the key properties of [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone?
[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone has a molecular weight of 283.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-[(5S)-4,5-dimethyl-2H-furan-5-yl]methanone is sourced from PubChem (CID 11044267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).