2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone

C14H20N2O — CID 63165103

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
SMILESCN(C)C1CCN(CC(=O)c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-15(2)13-8-9-16(10-13)11-14(17)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyDLKNYNNPNVCCEB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.51
Rot. Bonds4

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone

2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone (PubChem CID 63165103) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
PubChem CID63165103
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
SMILESCN(C)C1CCN(CC(=O)c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-15(2)13-8-9-16(10-13)11-14(17)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyDLKNYNNPNVCCEB-UHFFFAOYSA-N
XLogP1.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 63163799
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
CID 129394491
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315
1-(3-bromo-4-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63165013
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone
CID 140930148
2-[4-(dimethylamino)piperidin-1-yl]-1-(4-nitrophenyl)ethanone
CID 43797267
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 91841784
1-phenyl-2-(3-sulfanylazetidin-1-yl)ethanone
CID 18792641
1-[3-(dimethylamino)azepan-1-yl]-5-phenylpentane-1,5-dione
CID 78087224
2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone
CID 59305185

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone (CID 63165103) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone is CN(C)C1CCN(CC(=O)c2ccccc2)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone?
The InChIKey is DLKNYNNPNVCCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15(2)13-8-9-16(10-13)11-14(17)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone?
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone has a molecular weight of 232.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone is sourced from PubChem (CID 63165103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).