oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C14H15NO2 — CID 154880066

IUPACoxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CO1)N1CCC=C(c2ccccc2)C1
InChIInChI=1S/C14H15NO2/c16-14(13-10-17-13)15-8-4-7-12(9-15)11-5-2-1-3-6-11/h1-3,5-7,13H,4,8-10H2
InChIKeyHYSPMENUOWBUAM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.70
Rot. Bonds2

About oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 154880066) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Nameoxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID154880066
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameoxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CO1)N1CCC=C(c2ccccc2)C1
InChIInChI=1S/C14H15NO2/c16-14(13-10-17-13)15-8-4-7-12(9-15)11-5-2-1-3-6-11/h1-3,5-7,13H,4,8-10H2
InChIKeyHYSPMENUOWBUAM-UHFFFAOYSA-N
XLogP1.70
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 154837601
N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 124843428
N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 100641585
N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
CID 15075694
5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid
CID 167960122
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 167967168
[(2R)-1,4-dioxan-2-yl]-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 95214816
N,N-dimethyl-6-[1-(3-phenyl-1,4,2-dioxazole-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170585
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 125177029
(E)-3-(6-amino-3-pyridinyl)-1-(4-phenyl-2,3,6,7-tetrahydroazepin-1-yl)prop-2-en-1-one
CID 90061188
3-(6-amino-3-pyridinyl)-1-(4-phenyl-2,3,6,7-tetrahydroazepin-1-yl)prop-2-en-1-one
CID 123227594
N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide
CID 72816020

Frequently Asked Questions

What is the IUPAC name of oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 154880066) is oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1CO1)N1CCC=C(c2ccccc2)C1.
What is the InChIKey of oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is HYSPMENUOWBUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14(13-10-17-13)15-8-4-7-12(9-15)11-5-2-1-3-6-11/h1-3,5-7,13H,4,8-10H2.
What are the key properties of oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 154880066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).