1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone

C14H19NO3 — CID 62099075

IUPAC1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCOC(C(=O)N1CCCC1CO)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-18-13(11-6-3-2-4-7-11)14(17)15-9-5-8-12(15)10-16/h2-4,6-7,12-13,16H,5,8-10H2,1H3
InChIKeyVZOYKHQNUDNWMM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.36
Rot. Bonds4

About 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone (PubChem CID 62099075) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone
PubChem CID62099075
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCOC(C(=O)N1CCCC1CO)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-18-13(11-6-3-2-4-7-11)14(17)15-9-5-8-12(15)10-16/h2-4,6-7,12-13,16H,5,8-10H2,1H3
InChIKeyVZOYKHQNUDNWMM-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methoxy-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603784
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 61410735
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 102738494
3-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 107217984
2-(hydroxymethyl)-N-(2-methoxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111427848
[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 61408635
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
CID 96564974
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107217788
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086
1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106741791

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone?
The IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone (CID 62099075) is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone is COC(C(=O)N1CCCC1CO)c1ccccc1.
What is the InChIKey of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone?
The InChIKey is VZOYKHQNUDNWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-13(11-6-3-2-4-7-11)14(17)15-9-5-8-12(15)10-16/h2-4,6-7,12-13,16H,5,8-10H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone?
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone has a molecular weight of 249.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone is sourced from PubChem (CID 62099075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).