2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one

C14H19NO2 — CID 112687859

IUPAC2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
SMILESCOC(C)C(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-11(17-2)14(16)15-9-8-13(10-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyGBSGAXGBIDJTRB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.04
Rot. Bonds3

About 2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one

2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one (PubChem CID 112687859) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
PubChem CID112687859
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
SMILESCOC(C)C(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-11(17-2)14(16)15-9-8-13(10-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyGBSGAXGBIDJTRB-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one (CID 112687859) is 2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one is COC(C)C(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one?
The InChIKey is GBSGAXGBIDJTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(17-2)14(16)15-9-8-13(10-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3.
What are the key properties of 2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one?
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 112687859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).