2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one

C14H19NO2 — CID 14373623

IUPAC2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-12(14(16)15-9-5-6-10-15)17-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyTVZLBOSPKGJOTA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds4

About 2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one

2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 14373623) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID14373623
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-12(14(16)15-9-5-6-10-15)17-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyTVZLBOSPKGJOTA-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43428067
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43427969
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one
CID 81208321
9-[(2S)-2-phenylmethoxypropanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-one
CID 166260053
2-[(2R)-2-phenylmethoxypropanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 138054817
(2R,3S,4S)-2,3,4-tris(phenylmethoxy)-1-piperidin-1-ylheptane-1,5-dione
CID 170080971
2-[1-(2-phenylmethoxypropanoyl)pyrrolidin-2-yl]acetic acid
CID 61372049
2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 86955131
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
CID 60563326
potassium 2-phenylmethoxypropanoylazanide
CID 143775552
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-one
CID 86951239

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one (CID 14373623) is 2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one is CC(OCc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of 2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is TVZLBOSPKGJOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12(14(16)15-9-5-6-10-15)17-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3.
What are the key properties of 2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one?
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 14373623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).