(1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate

C14H19NO2 — CID 21149687

IUPAC(1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate
SMILESCC(=O)OC1(c2ccccc2)CCN(C)C1C
InChIInChI=1S/C14H19NO2/c1-11-14(17-12(2)16,9-10-15(11)3)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3
InChIKeyXVQUTLVHJSIFEN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds2

About (1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate

(1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate (PubChem CID 21149687) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate.

Molecular Properties

Compound Name(1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate
PubChem CID21149687
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate
SMILESCC(=O)OC1(c2ccccc2)CCN(C)C1C
InChIInChI=1S/C14H19NO2/c1-11-14(17-12(2)16,9-10-15(11)3)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3
InChIKeyXVQUTLVHJSIFEN-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate?
The IUPAC name of (1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate (CID 21149687) is (1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate.
What is the SMILES notation for (1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate?
The canonical SMILES for (1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate is CC(=O)OC1(c2ccccc2)CCN(C)C1C.
What is the InChIKey of (1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate?
The InChIKey is XVQUTLVHJSIFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-14(17-12(2)16,9-10-15(11)3)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3.
What are the key properties of (1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate?
(1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate has a molecular weight of 233.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate is sourced from PubChem (CID 21149687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).