[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

C14H19NO3 — CID 676248

IUPAC[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOC[C@@H]1CCCN1C(=O)c1ccccc1OC
InChIInChI=1S/C14H19NO3/c1-17-10-11-6-5-9-15(11)14(16)12-7-3-4-8-13(12)18-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyCECTWDBFDAJIEO-NSHDSACASA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds4

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

[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 676248) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID676248
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOC[C@@H]1CCCN1C(=O)c1ccccc1OC
InChIInChI=1S/C14H19NO3/c1-17-10-11-6-5-9-15(11)14(16)12-7-3-4-8-13(12)18-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyCECTWDBFDAJIEO-NSHDSACASA-N
XLogP1.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 676248) is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COC[C@@H]1CCCN1C(=O)c1ccccc1OC.
What is the InChIKey of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is CECTWDBFDAJIEO-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-10-11-6-5-9-15(11)14(16)12-7-3-4-8-13(12)18-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.95, 4 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]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 676248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).