(1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate

C15H21NO2 — CID 21149923

IUPAC(1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)CN(C)CC1C
InChIInChI=1S/C15H21NO2/c1-4-14(17)18-15(11-16(3)10-12(15)2)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyZYPZDVCEBCVJGX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds3

About (1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate

(1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate (PubChem CID 21149923) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate.

Molecular Properties

Compound Name(1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate
PubChem CID21149923
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)CN(C)CC1C
InChIInChI=1S/C15H21NO2/c1-4-14(17)18-15(11-16(3)10-12(15)2)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyZYPZDVCEBCVJGX-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate?
The IUPAC name of (1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate (CID 21149923) is (1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate.
What is the SMILES notation for (1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate?
The canonical SMILES for (1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate is CCC(=O)OC1(c2ccccc2)CN(C)CC1C.
What is the InChIKey of (1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate?
The InChIKey is ZYPZDVCEBCVJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-14(17)18-15(11-16(3)10-12(15)2)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of (1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate?
(1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethyl-3-phenylpyrrolidin-3-yl) propanoate is sourced from PubChem (CID 21149923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).