2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone

C13H16N2O — CID 115977081

IUPAC2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone
SMILESNC(C(=O)N1CC=CCC1)c1ccccc1
InChIInChI=1S/C13H16N2O/c14-12(11-7-3-1-4-8-11)13(16)15-9-5-2-6-10-15/h1-5,7-8,12H,6,9-10,14H2
InChIKeyFNXRJLORXBPDCO-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.47
Rot. Bonds2

About 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone

2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone (PubChem CID 115977081) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone
PubChem CID115977081
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone
SMILESNC(C(=O)N1CC=CCC1)c1ccccc1
InChIInChI=1S/C13H16N2O/c14-12(11-7-3-1-4-8-11)13(16)15-9-5-2-6-10-15/h1-5,7-8,12H,6,9-10,14H2
InChIKeyFNXRJLORXBPDCO-UHFFFAOYSA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
CID 86784489
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
CID 104897697
2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone
CID 119335411
(2S)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-amino-2-phenylethanone
CID 104897194
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119290269

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone (CID 115977081) is 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone is NC(C(=O)N1CC=CCC1)c1ccccc1.
What is the InChIKey of 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone?
The InChIKey is FNXRJLORXBPDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-12(11-7-3-1-4-8-11)13(16)15-9-5-2-6-10-15/h1-5,7-8,12H,6,9-10,14H2.
What are the key properties of 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone?
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone has a molecular weight of 216.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone is sourced from PubChem (CID 115977081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).