2-amino-2-phenyl-1-pyrrolidin-1-ylethanone

C12H16N2O — CID 24693981

IUPAC2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESNC(C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C12H16N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h1-3,6-7,11H,4-5,8-9,13H2
InChIKeyFBRZMKJGUPQVSF-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.31
Rot. Bonds2

About 2-amino-2-phenyl-1-pyrrolidin-1-ylethanone

2-amino-2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 24693981) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID24693981
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESNC(C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C12H16N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h1-3,6-7,11H,4-5,8-9,13H2
InChIKeyFBRZMKJGUPQVSF-UHFFFAOYSA-N
XLogP1.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898929
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
2-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-phenylethanone;hydrochloride
CID 119322888
2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 75518092
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride
CID 119315120
2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 23572000
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-amino-2-phenyl-1-pyrrolidin-1-ylethanone (CID 24693981) is 2-amino-2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-amino-2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-amino-2-phenyl-1-pyrrolidin-1-ylethanone is NC(C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is FBRZMKJGUPQVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h1-3,6-7,11H,4-5,8-9,13H2.
What are the key properties of 2-amino-2-phenyl-1-pyrrolidin-1-ylethanone?
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 204.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 24693981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).