2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one

C17H25NO2 — CID 71998902

IUPAC2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-17(2,3)16(19)18-10-9-15(11-18)13-20-12-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyHQMADYSBRRBFQC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.10
Rot. Bonds4

About 2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 71998902) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID71998902
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-17(2,3)16(19)18-10-9-15(11-18)13-20-12-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyHQMADYSBRRBFQC-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one (CID 71998902) is 2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(COCc2ccccc2)C1.
What is the InChIKey of 2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is HQMADYSBRRBFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)16(19)18-10-9-15(11-18)13-20-12-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 71998902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).