oxiran-2-yl(pyridin-2-yl)methanone

C8H7NO2 — CID 89057546

IUPACoxiran-2-yl(pyridin-2-yl)methanone
SMILESO=C(c1ccccn1)C1CO1
InChIInChI=1S/C8H7NO2/c10-8(7-5-11-7)6-3-1-2-4-9-6/h1-4,7H,5H2
InChIKeyHXLLAKBOJLPBRK-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.66
Rot. Bonds2

About oxiran-2-yl(pyridin-2-yl)methanone

oxiran-2-yl(pyridin-2-yl)methanone (PubChem CID 89057546) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is oxiran-2-yl(pyridin-2-yl)methanone.

Molecular Properties

Compound Nameoxiran-2-yl(pyridin-2-yl)methanone
PubChem CID89057546
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Nameoxiran-2-yl(pyridin-2-yl)methanone
SMILESO=C(c1ccccn1)C1CO1
InChIInChI=1S/C8H7NO2/c10-8(7-5-11-7)6-3-1-2-4-9-6/h1-4,7H,5H2
InChIKeyHXLLAKBOJLPBRK-UHFFFAOYSA-N
XLogP0.66
TPSA42.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-aminocyclobutyl)-pyridin-2-ylmethanone
CID 116917775
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
3-(pyridine-2-carbonyl)oxolan-2-one
CID 24971718
4-(pyridine-2-carbonyl)cyclohexan-1-one
CID 116920313
oxiran-2-yl(phenyl)methanone
CID 11788375
[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
CID 1471621
gadolinium;pyridine-2-carboxylic acid
CID 175231422
6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
CID 79913229
pyridin-2-yl-[(3S)-thiolan-3-yl]methanone
CID 99934837
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
hafnium;pyridine-2-carboxylic acid
CID 175130925

Frequently Asked Questions

What is the IUPAC name of oxiran-2-yl(pyridin-2-yl)methanone?
The IUPAC name of oxiran-2-yl(pyridin-2-yl)methanone (CID 89057546) is oxiran-2-yl(pyridin-2-yl)methanone.
What is the SMILES notation for oxiran-2-yl(pyridin-2-yl)methanone?
The canonical SMILES for oxiran-2-yl(pyridin-2-yl)methanone is O=C(c1ccccn1)C1CO1.
What is the InChIKey of oxiran-2-yl(pyridin-2-yl)methanone?
The InChIKey is HXLLAKBOJLPBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-8(7-5-11-7)6-3-1-2-4-9-6/h1-4,7H,5H2.
What are the key properties of oxiran-2-yl(pyridin-2-yl)methanone?
oxiran-2-yl(pyridin-2-yl)methanone has a molecular weight of 149.15 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-yl(pyridin-2-yl)methanone is sourced from PubChem (CID 89057546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).